 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer06_STD_B3LYPDBJ_augccpVDZ.in
 Output=12_L-valine_conformer06_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-205821.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    205838.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer06_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:41:49 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer06_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.457159000000     -0.146332000000     -0.647837000000
  C                                                 1.109574000000     -0.543619000000     -0.050687000000
  C                                                -0.012989000000      0.384911000000     -0.578811000000
  C                                                -1.363704000000     -0.252903000000     -0.259735000000
  O                                                -2.091645000000      0.444358000000      0.645421000000
  C                                                 1.162885000000     -0.565114000000      1.477637000000
  N                                                 0.173654000000      1.758943000000     -0.144286000000
  O                                                -1.758233000000     -1.282971000000     -0.742079000000
  H                                                 0.050109000000      0.366136000000     -1.669549000000
  H                                                 0.854606000000     -1.547323000000     -0.399183000000
  H                                                -2.909790000000     -0.057734000000      0.787298000000
  H                                                -0.455006000000      2.381115000000     -0.636018000000
  H                                                -0.032228000000      1.857361000000      0.841913000000
  H                                                 1.451195000000      0.409891000000      1.876513000000
  H                                                 0.203705000000     -0.845376000000      1.918080000000
  H                                                 1.905982000000     -1.287391000000      1.818568000000
  H                                                 2.716265000000      0.875135000000     -0.368973000000
  H                                                 3.243945000000     -0.813424000000     -0.290625000000
  H                                                 2.437115000000     -0.203744000000     -1.738160000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 19:41:49 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.457159   -0.146332   -0.647837
      2          6           0        1.109574   -0.543619   -0.050687
      3          6           0       -0.012989    0.384911   -0.578811
      4          6           0       -1.363704   -0.252903   -0.259735
      5          8           0       -2.091645    0.444358    0.645421
      6          6           0        1.162885   -0.565114    1.477637
      7          7           0        0.173654    1.758943   -0.144286
      8          8           0       -1.758233   -1.282971   -0.742079
      9          1           0        0.050109    0.366136   -1.669549
     10          1           0        0.854606   -1.547323   -0.399183
     11          1           0       -2.909790   -0.057734    0.787298
     12          1           0       -0.455006    2.381115   -0.636018
     13          1           0       -0.032228    1.857361    0.841913
     14          1           0        1.451195    0.409891    1.876513
     15          1           0        0.203705   -0.845376    1.918080
     16          1           0        1.905982   -1.287391    1.818568
     17          1           0        2.716265    0.875135   -0.368973
     18          1           0        3.243945   -0.813424   -0.290625
     19          1           0        2.437115   -0.203744   -1.738160
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526568   0.000000
     3  C    2.527571   1.549590   0.000000
     4  C    3.842001   2.499064   1.527432   0.000000
     5  O    4.765821   3.421764   2.413108   1.354761   0.000000
     6  C    2.523522   1.529405   2.552294   3.082140   3.507646
     7  N    3.016294   2.487267   1.453139   2.534625   2.735571
     8  O    4.366962   3.041214   2.419579   1.203889   2.240532
     9  H    2.664659   2.137951   1.092723   2.090371   3.154729
    10  H    2.143077   1.092648   2.125680   2.572133   3.706533
    11  H    5.556222   4.134440   3.233210   1.877432   0.970354
    12  H    3.856013   3.368173   2.045356   2.811649   2.841074
    13  H    3.525789   2.804488   2.046200   2.727576   2.505271
    14  H    2.773750   2.177151   2.858859   3.595345   3.750799
    15  H    3.485778   2.188081   2.791958   2.747849   2.924330
    16  H    2.772898   2.163695   3.496637   4.010032   4.511790
    17  H    1.090090   2.166939   2.780859   4.234448   4.932602
    18  H    1.091625   2.164695   3.482338   4.641720   5.561180
    19  H    1.092017   2.173809   2.773737   4.078527   5.158601
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.001742   0.000000
     8  O    3.738367   3.652778   0.000000
     9  H    3.465585   2.069203   2.617223   0.000000
    10  H    2.140613   3.385271   2.648469   2.433592   0.000000
    11  H    4.161813   3.698079   2.272946   3.869983   4.218683
    12  H    3.970563   1.011984   3.890395   2.320230   4.147746
    13  H    2.775036   1.012256   3.917883   2.921981   3.730773
    14  H    1.092181   2.745119   4.474733   3.813071   3.060294
    15  H    1.092045   3.322158   3.334237   3.789780   2.507212
    16  H    1.090922   4.016703   4.470280   4.283150   2.468071
    17  H    2.810209   2.701198   4.981743   3.009812   3.055322
    18  H    2.742119   4.008138   5.044410   3.673334   2.501866
    19  H    3.477873   3.393498   4.444981   2.455050   2.470303
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.741628   0.000000
    13  H    3.457012   1.623989   0.000000
    14  H    4.519209   3.719158   2.316487   0.000000
    15  H    3.404835   4.167441   2.918662   1.770213   0.000000
    16  H    5.076144   5.005716   3.820992   1.758111   1.761541
    17  H    5.818909   3.520831   3.159941   2.618981   3.808376
    18  H    6.292967   4.899655   4.375962   3.067073   3.757986
    19  H    5.915120   4.032441   4.123419   3.796636   4.332194
                   16         17         18         19
    16  H    0.000000
    17  H    3.180945   0.000000
    18  H    2.542338   1.770824   0.000000
    19  H    3.755890   1.765383   1.765798   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.457159   -0.146332   -0.647837
      2          6           0        1.109574   -0.543619   -0.050687
      3          6           0       -0.012989    0.384911   -0.578811
      4          6           0       -1.363704   -0.252903   -0.259735
      5          8           0       -2.091645    0.444358    0.645421
      6          6           0        1.162885   -0.565114    1.477637
      7          7           0        0.173654    1.758943   -0.144286
      8          8           0       -1.758233   -1.282971   -0.742079
      9          1           0        0.050109    0.366136   -1.669549
     10          1           0        0.854606   -1.547323   -0.399183
     11          1           0       -2.909790   -0.057734    0.787298
     12          1           0       -0.455006    2.381115   -0.636018
     13          1           0       -0.032228    1.857361    0.841913
     14          1           0        1.451195    0.409891    1.876513
     15          1           0        0.203705   -0.845376    1.918080
     16          1           0        1.905982   -1.287391    1.818568
     17          1           0        2.716265    0.875135   -0.368973
     18          1           0        3.243945   -0.813424   -0.290625
     19          1           0        2.437115   -0.203744   -1.738160
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9902404           1.4258101           1.3186332
 Leave Link  202 at Thu Aug 12 19:41:49 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.7550570018 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0284501528 Hartrees.
 Nuclear repulsion after empirical dispersion term =      407.7266068490 Hartrees.
 Leave Link  301 at Thu Aug 12 19:41:51 2021, MaxMem=  5368709120 cpu:              10.9 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.91D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 19:41:51 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:41:51 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer06_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:41:52 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368524961 LenY=  5368435119
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.455525813954    
 DIIS: error= 1.97D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.455525813954     IErMin= 1 ErrMin= 1.97D-03
 ErrMax= 1.97D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.96D-03 BMatP= 4.96D-03
 IDIUse=3 WtCom= 9.80D-01 WtEn= 1.97D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.242 Goal=   None    Shift=    0.000
 GapD=    0.242 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.68D-02 MaxDP=1.99D+00              OVMax= 1.90D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.61D-02    CP:  1.19D+00
 E= -402.460127262269     Delta-E=       -0.004601448314 Rises=F Damp=F
 DIIS: error= 3.76D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.460127262269     IErMin= 2 ErrMin= 3.76D-04
 ErrMax= 3.76D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.65D-05 BMatP= 4.96D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.76D-03
 Coeff-Com:  0.777D-02 0.992D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.774D-02 0.992D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=6.41D-04 MaxDP=6.49D-02 DE=-4.60D-03 OVMax= 4.43D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.16D-04    CP:  1.19D+00  1.03D+00
 E= -402.460029192554     Delta-E=        0.000098069715 Rises=F Damp=F
 DIIS: error= 6.00D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -402.460127262269     IErMin= 2 ErrMin= 3.76D-04
 ErrMax= 6.00D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.42D-04 BMatP= 9.65D-05
 IDIUse=3 WtCom= 2.90D-01 WtEn= 7.10D-01
 Coeff-Com: -0.116D-01 0.624D+00 0.388D+00
 Coeff-En:   0.000D+00 0.675D+00 0.325D+00
 Coeff:     -0.338D-02 0.660D+00 0.343D+00
 Gap=     0.230 Goal=   None    Shift=    0.000
 RMSDP=8.39D-05 MaxDP=5.46D-03 DE= 9.81D-05 OVMax= 3.18D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.56D-05    CP:  1.19D+00  1.04D+00  9.18D-01
 E= -402.460204213034     Delta-E=       -0.000175020480 Rises=F Damp=F
 DIIS: error= 4.84D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.460204213034     IErMin= 4 ErrMin= 4.84D-05
 ErrMax= 4.84D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.73D-06 BMatP= 9.65D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.637D-02 0.287D+00 0.152D+00 0.567D+00
 Coeff:     -0.637D-02 0.287D+00 0.152D+00 0.567D+00
 Gap=     0.230 Goal=   None    Shift=    0.000
 RMSDP=2.97D-05 MaxDP=2.27D-03 DE=-1.75D-04 OVMax= 5.75D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.84D-05    CP:  1.19D+00  1.04D+00  9.45D-01  1.10D+00
 E= -402.460206265254     Delta-E=       -0.000002052220 Rises=F Damp=F
 DIIS: error= 3.17D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.460206265254     IErMin= 5 ErrMin= 3.17D-05
 ErrMax= 3.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-06 BMatP= 3.73D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.152D-02 0.350D-01 0.729D-02 0.381D+00 0.578D+00
 Coeff:     -0.152D-02 0.350D-01 0.729D-02 0.381D+00 0.578D+00
 Gap=     0.230 Goal=   None    Shift=    0.000
 RMSDP=1.47D-05 MaxDP=1.33D-03 DE=-2.05D-06 OVMax= 2.98D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.69D-06    CP:  1.19D+00  1.04D+00  9.66D-01  1.15D+00  9.16D-01
 E= -402.460207178332     Delta-E=       -0.000000913078 Rises=F Damp=F
 DIIS: error= 6.62D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.460207178332     IErMin= 6 ErrMin= 6.62D-06
 ErrMax= 6.62D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.55D-08 BMatP= 1.28D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.431D-03 0.127D-02-0.488D-02 0.169D+00 0.311D+00 0.523D+00
 Coeff:     -0.431D-03 0.127D-02-0.488D-02 0.169D+00 0.311D+00 0.523D+00
 Gap=     0.230 Goal=   None    Shift=    0.000
 RMSDP=2.55D-06 MaxDP=9.04D-05 DE=-9.13D-07 OVMax= 5.59D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.22D-06    CP:  1.19D+00  1.04D+00  9.69D-01  1.16D+00  8.82D-01
                    CP:  9.15D-01
 E= -402.460207235977     Delta-E=       -0.000000057645 Rises=F Damp=F
 DIIS: error= 1.28D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.460207235977     IErMin= 7 ErrMin= 1.28D-06
 ErrMax= 1.28D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.47D-09 BMatP= 6.55D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.293D-04-0.309D-02-0.270D-02 0.342D-01 0.735D-01 0.211D+00
 Coeff-Com:  0.688D+00
 Coeff:     -0.293D-04-0.309D-02-0.270D-02 0.342D-01 0.735D-01 0.211D+00
 Coeff:      0.688D+00
 Gap=     0.230 Goal=   None    Shift=    0.000
 RMSDP=8.29D-07 MaxDP=4.46D-05 DE=-5.76D-08 OVMax= 1.06D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.78D-07    CP:  1.19D+00  1.04D+00  9.70D-01  1.16D+00  8.94D-01
                    CP:  9.24D-01  8.46D-01
 E= -402.460207238311     Delta-E=       -0.000000002334 Rises=F Damp=F
 DIIS: error= 2.76D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.460207238311     IErMin= 8 ErrMin= 2.76D-07
 ErrMax= 2.76D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.06D-11 BMatP= 2.47D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.138D-04-0.911D-03-0.550D-03 0.229D-02 0.549D-02 0.329D-01
 Coeff-Com:  0.199D+00 0.762D+00
 Coeff:      0.138D-04-0.911D-03-0.550D-03 0.229D-02 0.549D-02 0.329D-01
 Coeff:      0.199D+00 0.762D+00
 Gap=     0.230 Goal=   None    Shift=    0.000
 RMSDP=2.16D-07 MaxDP=1.73D-05 DE=-2.33D-09 OVMax= 2.57D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.39D-07    CP:  1.19D+00  1.04D+00  9.70D-01  1.16D+00  8.95D-01
                    CP:  9.37D-01  8.72D-01  8.99D-01
 E= -402.460207238375     Delta-E=       -0.000000000063 Rises=F Damp=F
 DIIS: error= 1.12D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.460207238375     IErMin= 9 ErrMin= 1.12D-07
 ErrMax= 1.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-11 BMatP= 8.06D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.732D-05-0.231D-03-0.829D-04-0.115D-02-0.227D-02 0.191D-02
 Coeff-Com:  0.523D-01 0.371D+00 0.578D+00
 Coeff:      0.732D-05-0.231D-03-0.829D-04-0.115D-02-0.227D-02 0.191D-02
 Coeff:      0.523D-01 0.371D+00 0.578D+00
 Gap=     0.230 Goal=   None    Shift=    0.000
 RMSDP=5.83D-08 MaxDP=6.03D-06 DE=-6.33D-11 OVMax= 5.93D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.27D-08    CP:  1.19D+00  1.04D+00  9.70D-01  1.16D+00  8.95D-01
                    CP:  9.36D-01  8.74D-01  9.49D-01  7.50D-01
 E= -402.460207238391     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 1.48D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.460207238391     IErMin=10 ErrMin= 1.48D-08
 ErrMax= 1.48D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.71D-13 BMatP= 1.51D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.175D-05-0.286D-04 0.254D-05-0.456D-03-0.864D-03-0.853D-03
 Coeff-Com:  0.649D-02 0.758D-01 0.184D+00 0.736D+00
 Coeff:      0.175D-05-0.286D-04 0.254D-05-0.456D-03-0.864D-03-0.853D-03
 Coeff:      0.649D-02 0.758D-01 0.184D+00 0.736D+00
 Gap=     0.230 Goal=   None    Shift=    0.000
 RMSDP=9.00D-09 MaxDP=5.71D-07 DE=-1.67D-11 OVMax= 2.69D-07

 SCF Done:  E(RB3LYP) =  -402.460207238     A.U. after   10 cycles
            NFock= 10  Conv=0.90D-08     -V/T= 2.0061
 KE= 4.000098765141D+02 PE=-1.754835887774D+03 EE= 5.446391971727D+02
 Leave Link  502 at Thu Aug 12 19:42:55 2021, MaxMem=  5368709120 cpu:             506.1 elap:              63.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.74688913D+02

 Leave Link  801 at Thu Aug 12 19:42:56 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 3.01D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 3.14D-01 6.85D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 3.12D-02 3.47D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 2.81D-03 1.18D-02.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 1.10D-04 2.28D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 1.94D-06 1.99D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 2.65D-08 2.98D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 3.77D-10 3.32D-06.
      8 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 2.61D-12 2.46D-07.
      5 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 1.92D-14 1.68D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 6.39D-14
 Solved reduced A of dimension   101 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.908008D+02
      2  0.107535D+01  0.782798D+02
      3 -0.275879D+01  0.186960D+01  0.758446D+02
 Isotropic polarizability for W=    0.088559       81.64 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.692460D+02 -0.206509D+02  0.521943D+01
      2  -0.379534D+02  0.238310D+02 -0.117333D+02
      3  -0.312926D+02 -0.318002D+01  0.651391D+01
      4  -0.218946D+02  0.415842D+02 -0.194270D+02
      5   0.120190D+02 -0.225166D+02  0.654689D+02
      6  -0.546197D+01  0.790171D+00 -0.937072D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.906329D+00 -0.130165D+01  0.150719D+01
      2   0.735387D+01 -0.758628D+01  0.340297D+02
      3   0.578151D+01 -0.257540D+02  0.881085D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.308965D+01  0.125235D+02  0.619070D+01
      2  -0.679958D+01 -0.139650D+02  0.967615D+02
      3  -0.124364D+01 -0.795376D+02  0.170547D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.160131D+00 -0.797565D+00 -0.120379D+01
      2  -0.797565D+00  0.461003D+00  0.840485D-01
      3  -0.120379D+01  0.840485D-01  0.173621D-01
 OR G Eigenvalues:    -1.4367     0.2375     1.5174  Iso=    -0.1061
 Eigenvectors:
   (1)   0.745981   0.286901   0.600999
   (2)   0.162043   0.797127  -0.581661
   (3)   0.645952  -0.531296  -0.548152
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1061 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      -45.92 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 1.06D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 6.38D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 3.89D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 1.63D-02 3.53D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 4.51D-04 4.38D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 6.45D-06 3.27D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 4.86D-08 2.45D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.00D-10 1.21D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 3.53D-13 5.07D-08.
      1 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 7.09D-16 2.95D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.33D-15
 Solved reduced A of dimension   211 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 1.03D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 1.03D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.00D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.908008D+02  0.107535D+01 -0.275879D+01
      2   0.107535D+01  0.782798D+02  0.186960D+01
      3  -0.275879D+01  0.186960D+01  0.758446D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.906329D+00 -0.130165D+01  0.150719D+01
      2   0.735387D+01 -0.758628D+01  0.340297D+02
      3   0.578151D+01 -0.257540D+02  0.881085D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.692460D+02 -0.206509D+02  0.521943D+01
      2  -0.379534D+02  0.238310D+02 -0.117333D+02
      3  -0.312926D+02 -0.318002D+01  0.651391D+01
      4  -0.218946D+02  0.415842D+02 -0.194270D+02
      5   0.120190D+02 -0.225166D+02  0.654689D+02
      6  -0.546197D+01  0.790171D+00 -0.937072D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.146735D-01  0.310395D+01 -0.354252D+01  0.517474D+01 -0.379574D+01
      2   0.310395D+01 -0.290091D+01  0.104585D+00 -0.379574D+01 -0.325493D+01
      3  -0.354252D+01  0.104585D+00  0.901959D+00 -0.704580D-01 -0.211098D+01
                 6             7             8             9            10 
      1  -0.704580D-01 -0.500652D+01  0.434883D+00 -0.745541D+00  0.195218D+01
      2  -0.211098D+01  0.434883D+00 -0.214320D+01  0.154364D+00 -0.257969D+01
      3   0.637234D+00 -0.745541D+00  0.154364D+00  0.804538D+01  0.446594D+01
                11            12            13            14            15 
      1  -0.257969D+01  0.446594D+01 -0.726942D+01  0.296134D+01  0.285627D+00
      2   0.347075D+01  0.282770D+00  0.296134D+01  0.438569D+01  0.291034D+01
      3   0.282770D+00 -0.609236D+00  0.285627D+00  0.291034D+01  0.407297D+00
                16            17            18            19            20 
      1   0.646697D+01  0.195880D+00  0.463780D-01 -0.200939D+01  0.392843D+01
      2   0.195880D+00  0.290927D+01  0.134971D+01  0.392843D+01 -0.788406D+00
      3   0.463780D-01  0.134971D+01 -0.616751D+01 -0.280247D+01  0.354835D-01
                21            22            23            24            25 
      1  -0.280247D+01  0.759320D+01 -0.343479D+00 -0.237087D+00 -0.274130D+01
      2   0.354835D-01 -0.343479D+00 -0.150945D+01 -0.135406D+01  0.680746D-01
      3  -0.378216D+00 -0.237087D+00 -0.135406D+01  0.146727D+01 -0.667478D+00
                26            27            28            29            30 
      1   0.680746D-01 -0.667478D+00 -0.301944D+01 -0.204084D+01  0.174677D+01
      2  -0.162775D+01  0.774035D-01 -0.204084D+01  0.576443D+00  0.189935D+01
      3   0.774035D-01  0.655628D+01  0.174677D+01  0.189935D+01  0.172639D+00
                31            32            33            34            35 
      1   0.263545D+01  0.138119D+01  0.181512D+01  0.222579D+01  0.270366D+01
      2   0.138119D+01  0.303597D+01  0.178680D+01  0.270366D+01  0.262015D+01
      3   0.181512D+01  0.178680D+01  0.839150D+00  0.341095D+00 -0.700098D-01
                36            37            38            39            40 
      1   0.341095D+00  0.587121D+01  0.330296D+01 -0.129423D+01  0.484397D+01
      2  -0.700098D-01  0.330296D+01  0.240589D+00 -0.917168D+00 -0.975669D+00
      3   0.191505D-02 -0.129423D+01 -0.917168D+00  0.908028D+00 -0.168427D+01
                41            42            43            44            45 
      1  -0.975669D+00 -0.168427D+01 -0.543747D+00 -0.150317D+01 -0.464046D+00
      2   0.307002D+01  0.807469D+00 -0.150317D+01  0.215348D+00  0.139305D+01
      3   0.807469D+00  0.151147D+01 -0.464046D+00  0.139305D+01  0.265467D+01
                46            47            48            49            50 
      1   0.147585D+01  0.361445D+01 -0.487528D+01  0.393514D+01 -0.337873D+01
      2   0.361445D+01 -0.321255D+01  0.134733D+00 -0.337873D+01 -0.190406D+01
      3  -0.487528D+01  0.134733D+00  0.565665D+00  0.107388D+00 -0.392755D+01
                51            52            53            54            55 
      1   0.107388D+00 -0.362562D+01 -0.107895D+00  0.333436D+00  0.261091D+01
      2  -0.392755D+01 -0.107895D+00 -0.289760D+01 -0.725021D+00 -0.200981D+01
      3   0.253592D+00  0.333436D+00 -0.725021D+00  0.404972D+01  0.121314D+01
                56            57            58            59            60 
      1  -0.200981D+01  0.121314D+01 -0.147351D+01  0.334892D+01 -0.669758D+00
      2   0.374452D+01 -0.796048D+00  0.334892D+01  0.242890D+01  0.121426D+01
      3  -0.796048D+00  0.202811D+01 -0.669758D+00  0.121426D+01 -0.119082D+01
                61            62            63            64            65 
      1   0.150294D+01 -0.104093D+01  0.239068D+01 -0.293418D+01 -0.295358D+01
      2  -0.104093D+01  0.144467D+01 -0.729087D+00 -0.295358D+01 -0.248222D+01
      3   0.239068D+01 -0.729087D+00 -0.365835D+01 -0.201302D+01 -0.140938D+01
                66            67            68            69            70 
      1  -0.201302D+01 -0.601932D+01 -0.315561D+01 -0.123068D+01 -0.307255D+01
      2  -0.140938D+01 -0.315561D+01 -0.932455D+01 -0.279148D+01 -0.149474D+01
      3  -0.115193D+01 -0.123068D+01 -0.279148D+01 -0.270724D+01 -0.186039D+01
                71            72            73            74            75 
      1  -0.149474D+01 -0.186039D+01  0.500655D+00 -0.385985D+00 -0.830947D+00
      2  -0.272972D+01 -0.286705D+01 -0.385985D+00  0.249222D+00 -0.117712D+00
      3  -0.286705D+01 -0.380495D+01 -0.830947D+00 -0.117712D+00  0.303011D+00
                76            77            78            79            80 
      1  -0.116006D+01  0.153911D+00  0.381110D-02 -0.145225D+01 -0.999436D-01
      2   0.153911D+00  0.575534D+00 -0.107698D+01 -0.999436D-01 -0.140561D+01
      3   0.381110D-02 -0.107698D+01 -0.600365D-01  0.189860D+00  0.500690D+00
                81            82            83            84            85 
      1   0.189860D+00 -0.127352D+01 -0.759499D+00 -0.992130D+00 -0.106854D+01
      2   0.500690D+00 -0.759499D+00 -0.106517D+01 -0.231848D-01 -0.920397D+00
      3  -0.878650D+01 -0.992130D+00 -0.231848D-01 -0.264621D+00 -0.987595D-01
                86            87            88            89            90 
      1  -0.920397D+00 -0.987595D-01 -0.147254D+01 -0.120519D+00 -0.954059D-01
      2  -0.702935D+01 -0.173715D+01 -0.120519D+00 -0.176991D+01 -0.152888D+01
      3  -0.173715D+01 -0.184765D+01 -0.954059D-01 -0.152888D+01 -0.566106D+00
                91            92            93            94            95 
      1  -0.981500D+01 -0.997247D+00  0.293648D+01 -0.419659D+01 -0.160055D+01
      2  -0.997247D+00 -0.147154D+01  0.130363D+00 -0.160055D+01 -0.675770D+00
      3   0.293648D+01  0.130363D+00 -0.198280D+01  0.145693D+01  0.587098D+00
                96            97            98            99           100 
      1   0.145693D+01  0.199004D+01  0.299211D+00 -0.159379D+01 -0.168939D+01
      2   0.587098D+00  0.299211D+00  0.521748D+00 -0.814495D-01  0.264397D+01
      3  -0.913683D+00 -0.159379D+01 -0.814495D-01  0.144781D+01 -0.110532D+01
               101           102           103           104           105 
      1   0.264397D+01 -0.110532D+01  0.243466D+01 -0.292344D+01  0.102141D+01
      2  -0.331015D+01  0.119888D+01 -0.292344D+01  0.539760D+01 -0.155350D+01
      3   0.119888D+01 -0.106955D+01  0.102141D+01 -0.155350D+01  0.129939D+01
               106           107           108           109           110 
      1  -0.190497D+01  0.162266D+01 -0.127167D+01 -0.416939D-01  0.607502D+00
      2   0.162266D+01 -0.273000D+01  0.172144D+01  0.607502D+00 -0.116254D+00
      3  -0.127167D+01  0.172144D+01 -0.153397D+01  0.193223D+00 -0.353600D+00
               111           112           113           114           115 
      1   0.193223D+00  0.400363D+00 -0.118747D+00 -0.397105D+00  0.101938D+01
      2  -0.353600D+00 -0.118747D+00  0.116958D+01  0.910157D+00 -0.562001D+00
      3  -0.678753D+00 -0.397105D+00  0.910157D+00  0.874611D+00 -0.766349D+00
               116           117           118           119           120 
      1  -0.562001D+00 -0.766349D+00  0.944844D+00  0.636295D+00  0.120747D+01
      2   0.222290D+01  0.143196D+01  0.636295D+00  0.138037D+01  0.528643D+00
      3   0.143196D+01  0.543600D+01  0.120747D+01  0.528643D+00  0.102348D+01
               121           122           123           124           125 
      1   0.127155D+01  0.121984D+01  0.896281D+00  0.941292D+00  0.405836D+00
      2   0.121984D+01  0.468215D+01  0.225413D+01  0.405836D+00  0.178728D+01
      3   0.896281D+00  0.225413D+01  0.312681D+01  0.590845D+00  0.152735D+01
               126           127           128           129           130 
      1   0.590845D+00 -0.537889D+01 -0.140434D+01  0.251744D+01 -0.145980D+01
      2   0.152735D+01 -0.140434D+01 -0.109415D+01  0.991751D+00 -0.643815D+00
      3   0.206357D+01  0.251744D+01  0.991751D+00 -0.339407D+01  0.620641D+00
               131           132           133           134           135 
      1  -0.643815D+00  0.620641D+00  0.193316D+01  0.538121D+00 -0.185222D+01
      2  -0.967541D+00  0.132131D+01  0.538121D+00  0.948209D+00 -0.731011D+00
      3   0.132131D+01 -0.112243D+01 -0.185222D+01 -0.731011D+00  0.244875D+01
               136           137           138           139           140 
      1   0.398873D+01 -0.270355D+01  0.254444D+01 -0.295383D+01  0.269457D+01
      2  -0.270355D+01  0.265346D+01 -0.144315D+01  0.269457D+01 -0.352723D+01
      3   0.254444D+01 -0.144315D+01  0.234423D+01 -0.147805D+01  0.238984D+01
               141           142           143           144           145 
      1  -0.147805D+01  0.140043D+01 -0.939571D+00  0.150099D+01  0.154416D+01
      2   0.238984D+01 -0.939571D+00  0.152539D+01 -0.139639D+01  0.124581D+01
      3  -0.228217D+01  0.150099D+01 -0.139639D+01  0.179546D+01  0.435035D+00
               146           147           148           149           150 
      1   0.124581D+01  0.435035D+00  0.294379D+01  0.229633D+01 -0.154094D+00
      2   0.166331D+01  0.697130D-01  0.229633D+01  0.579125D+01  0.646686D+00
      3   0.697130D-01  0.285343D+00 -0.154094D+00  0.646686D+00  0.130262D+01
               151           152           153           154           155 
      1   0.130778D+01  0.345795D+00  0.547225D+00  0.698434D+01 -0.299354D+01
      2   0.345795D+00  0.119893D+01  0.825033D+00 -0.299354D+01  0.223511D+01
      3   0.547225D+00  0.825033D+00 -0.179489D+00  0.955310D+00 -0.379767D+00
               156           157           158           159           160 
      1   0.955310D+00 -0.506767D+01  0.309886D+01 -0.253354D+00  0.306625D+01
      2  -0.379767D+00  0.309886D+01 -0.247518D+01  0.635227D+00 -0.771613D+00
      3   0.975186D+00 -0.253354D+00  0.635227D+00 -0.113240D+01  0.118344D+01
               161           162           163           164           165 
      1  -0.771613D+00  0.118344D+01  0.303313D+00 -0.255278D+00 -0.759326D+00
      2   0.990161D+00 -0.747625D+00 -0.255278D+00  0.227564D+00  0.637369D-01
      3  -0.747625D+00  0.146047D+00 -0.759326D+00  0.637369D-01  0.215274D-01
               166           167           168           169           170 
      1  -0.564122D+00  0.701212D+00  0.664070D-01 -0.203452D+01  0.262538D-01
      2   0.701212D+00  0.131375D+00 -0.911618D+00  0.262538D-01 -0.108026D+01
      3   0.664070D-01 -0.911618D+00 -0.463016D+00  0.219294D+01 -0.104477D+00
               171 
      1   0.219294D+01
      2  -0.104477D+00
      3  -0.994874D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.282117D+01  0.237632D+01  0.207182D+00  0.353235D+01  0.235991D+01
      2  -0.990100D+01  0.308685D+01  0.570557D+00  0.442971D+01 -0.898493D+01
      3  -0.819808D+01  0.588781D+01  0.665225D+00  0.141257D+02  0.113084D+02
                 6             7             8             9            10 
      1  -0.383569D+00  0.785469D+00  0.313341D+01 -0.435682D+00  0.378639D+01
      2   0.120344D+01 -0.100898D+02  0.732627D+00  0.233141D+02  0.903258D+01
      3   0.508569D+01 -0.143354D+01  0.622567D+01 -0.115234D+01  0.354856D+01
                11            12            13            14            15 
      1  -0.433016D+00 -0.518805D-01 -0.718296D+00  0.340500D+01 -0.418173D+01
      2  -0.683343D+00  0.420347D+01 -0.513222D+01  0.386245D+01  0.183135D+00
      3  -0.407421D+01 -0.155805D+01  0.121005D+01 -0.101439D+02 -0.461067D+01
                16            17            18            19            20 
      1  -0.513613D+00  0.236017D+01 -0.300320D+01 -0.512398D+01  0.237779D+00
      2  -0.171467D+01  0.152080D+01 -0.681943D+01  0.852042D+00  0.812115D+00
      3  -0.739243D+00 -0.375323D+01 -0.233551D+00 -0.150657D+01 -0.434595D+01
                21            22            23            24            25 
      1  -0.903294D+00 -0.177556D+01  0.155216D+01  0.323677D+01  0.648586D-01
      2  -0.780447D+00  0.895667D+01  0.220659D-02  0.713079D+00 -0.738255D+01
      3   0.195527D+01 -0.685135D+00 -0.252900D+00  0.361888D+01 -0.117339D+01
                26            27            28            29            30 
      1   0.553888D+01 -0.211978D+01  0.178815D+01  0.346412D+00  0.192275D+01
      2  -0.581434D+00 -0.238570D+01 -0.116669D+02 -0.197241D+01 -0.202043D+01
      3   0.142273D+01  0.166635D+00 -0.477886D+01  0.257393D+01 -0.168866D+01
                31            32            33            34            35 
      1   0.275088D+01 -0.651339D+01  0.911525D+00 -0.348565D+01  0.140479D+01
      2   0.995487D+01 -0.102147D+01 -0.523639D+01 -0.119321D+02 -0.298488D+01
      3   0.581782D+01  0.107240D+02 -0.196792D+00 -0.681583D+01 -0.308544D+01
                36            37            38            39            40 
      1   0.873990D+01  0.397322D+00  0.263208D+00  0.206198D+01  0.222360D+01
      2   0.408529D+01  0.290081D+01  0.262565D+00  0.119204D+01 -0.791004D+00
      3   0.189663D+01  0.548222D+01 -0.107835D+01 -0.447506D+00  0.470074D+01
                41            42            43            44            45 
      1   0.277978D+01 -0.278711D+01  0.151342D+01  0.350928D+01 -0.196977D+01
      2  -0.389454D+01 -0.310567D+01 -0.178312D+01 -0.307239D+01 -0.701562D+01
      3   0.928671D+01  0.140847D+01  0.297996D+01  0.215015D+01  0.176822D+01
                46            47            48            49            50 
      1   0.366264D+01 -0.632278D+01  0.927936D+00 -0.639377D+01 -0.638417D+01
      2  -0.113623D+02 -0.714347D+01  0.135945D+02 -0.542628D+01  0.616390D+00
      3  -0.658458D+01 -0.132068D+00  0.296892D+01  0.388661D+01  0.534961D+01
                51            52            53            54            55 
      1  -0.116288D+02  0.410492D-01 -0.491350D+01  0.284415D+01 -0.167432D+01
      2  -0.185699D+00  0.611109D+01 -0.656109D+00  0.362361D+01  0.104058D+01
      3   0.498964D+01  0.270414D+01  0.370779D+01  0.561507D+00  0.730537D+01
                56            57            58            59            60 
      1   0.137969D+01 -0.619252D+01  0.146464D+01 -0.504013D+01 -0.385532D+01
      2   0.177282D+01  0.466664D+01 -0.220302D+01 -0.106620D+00  0.567160D+00
      3  -0.117712D+02  0.143434D+01  0.408774D+01  0.860831D+01 -0.387046D+01
                61            62            63            64            65 
      1  -0.432029D+01  0.725348D+01  0.951454D+01  0.164996D+01  0.273042D+01
      2  -0.864558D+00  0.360669D+00 -0.599335D+00  0.990452D+00  0.105822D+01
      3   0.394970D+01 -0.227585D+01  0.604765D+01  0.133992D+01 -0.556618D+01
                66            67            68            69            70 
      1  -0.348261D+01  0.293865D-01  0.521218D+01 -0.748337D+01  0.116482D+01
      2   0.583651D+01 -0.917770D+01  0.268257D+01  0.599633D+01 -0.343262D-01
      3  -0.109753D+01  0.408606D+01 -0.158816D+02 -0.314128D+01  0.867276D+00
                71            72            73            74            75 
      1   0.411153D+01 -0.329064D+01  0.743145D+00 -0.374221D+00 -0.312388D-01
      2   0.590372D+01  0.419843D+01  0.941883D+00 -0.309003D+00  0.341695D+00
      3  -0.172399D+01 -0.449815D+01  0.112955D+01 -0.413513D+00 -0.806295D+00
                76            77            78            79            80 
      1   0.833293D-01 -0.791873D+00 -0.339285D+00  0.103309D+00  0.359831D+01
      2  -0.969758D+00  0.502894D+00  0.302115D-01 -0.384054D+01  0.871866D-01
      3   0.138369D+01  0.264629D-01 -0.638019D+00 -0.327436D+00 -0.496244D+00
                81            82            83            84            85 
      1   0.177346D+01 -0.148670D+01  0.185039D+00 -0.585800D+00 -0.200127D+00
      2   0.980455D+00 -0.221999D+01 -0.364649D+00  0.140954D-01 -0.929635D+00
      3  -0.134016D+00  0.338530D+01  0.112861D+01  0.102025D+01  0.569338D+01
                86            87            88            89            90 
      1   0.765919D-01 -0.375943D+01 -0.214193D+00  0.415006D+00 -0.467322D+00
      2  -0.191070D+01 -0.177319D+01 -0.237342D+01 -0.168267D+01 -0.605328D+00
      3   0.857687D+01  0.239700D+01  0.228299D+01  0.219799D+01  0.195986D+01
                91            92            93            94            95 
      1  -0.134793D+01 -0.166897D+01 -0.113645D-01 -0.425638D+00 -0.113879D+01
      2  -0.209585D+01  0.574830D+00  0.514625D+01 -0.192833D+01 -0.493533D+00
      3  -0.369514D+01 -0.558480D+01  0.861284D+00 -0.257488D+01 -0.346072D+01
                96            97            98            99           100 
      1  -0.505124D+00  0.838733D+00  0.615054D+00 -0.378467D+00  0.148431D+01
      2   0.287069D+01  0.131068D+01  0.280590D+00 -0.236586D+01 -0.124054D+01
      3   0.755405D+00  0.188637D+01  0.180514D+01 -0.740130D+00 -0.572628D+01
               101           102           103           104           105 
      1  -0.194295D+01  0.345658D+01 -0.166278D+01  0.141553D+01 -0.354159D+01
      2   0.580325D+00  0.586841D+00  0.826482D+00 -0.567219D+00 -0.501346D+00
      3   0.468737D+01 -0.273336D+01  0.857307D+01 -0.678981D+01  0.324436D+01
               106           107           108           109           110 
      1   0.214332D+01 -0.155697D+01  0.249308D+01 -0.560406D+00  0.882926D+00
      2  -0.161933D+01  0.235659D+00 -0.592327D-02  0.748214D+00  0.126888D+00
      3  -0.524197D+01  0.412027D+01 -0.347724D+01 -0.456407D+00  0.182075D+00
               111           112           113           114           115 
      1   0.200674D+01  0.116884D+01 -0.235568D+01 -0.238772D+01  0.182534D+01
      2  -0.401811D+00  0.610921D-01 -0.110775D+00  0.454043D+00 -0.292029D+01
      3   0.670219D+00  0.105099D+01 -0.549863D+00 -0.120173D+01  0.313360D+01
               116           117           118           119           120 
      1  -0.164333D+01 -0.150140D+02  0.175545D+01  0.309771D+01  0.107604D+01
      2   0.456050D+00  0.981648D+00  0.290903D+00 -0.361852D+00  0.594448D+00
      3  -0.134080D+01 -0.261790D+01 -0.472716D+00 -0.286440D+01 -0.116246D+01
               121           122           123           124           125 
      1   0.231637D+01  0.129298D+02  0.355346D+01  0.137418D+01  0.590832D+01
      2  -0.239202D+01  0.110324D+01  0.334980D+01 -0.219794D+01  0.105395D+01
      3   0.817343D-01 -0.793914D+01 -0.287628D+01 -0.493030D+00 -0.245014D+01
               126           127           128           129           130 
      1   0.355363D+01 -0.581058D+00 -0.236428D+01 -0.147714D+01 -0.878804D+00
      2   0.161578D+01  0.166300D+02  0.362200D+01 -0.585926D+01  0.372970D+01
      3  -0.222589D+01  0.659333D+01  0.307533D+00 -0.251342D+01  0.301875D+01
               131           132           133           134           135 
      1  -0.515517D+00  0.499122D+00 -0.421448D+00  0.253169D+01  0.505143D+00
      2   0.249214D+01 -0.179529D+01 -0.794423D+01 -0.190055D+01  0.506203D+01
      3   0.939277D+00 -0.175328D+01 -0.224778D+01 -0.457371D+00  0.208271D+01
               136           137           138           139           140 
      1  -0.289640D+01  0.478377D+01  0.364630D+00  0.360740D+01 -0.472461D+01
      2  -0.396140D+01  0.262133D+01  0.143222D+01  0.412815D+01 -0.129488D+01
      3   0.824414D-02 -0.329465D+01  0.447603D+00  0.415128D+00  0.343997D+01
               141           142           143           144           145 
      1   0.344973D+00 -0.880808D+00  0.300020D+01 -0.726158D+00 -0.107347D+01
      2  -0.156792D+01 -0.280760D+01  0.142881D+00  0.289007D+00  0.246497D+01
      3  -0.210707D+01 -0.563423D+00 -0.187202D+01  0.735404D+00 -0.412039D+01
               146           147           148           149           150 
      1  -0.150549D+01 -0.740402D+00 -0.144310D+01 -0.446919D+01 -0.289534D+01
      2   0.117753D+01  0.186434D+01  0.124336D+01  0.433282D+01  0.468014D+01
      3  -0.522114D+01 -0.107418D+00 -0.285041D+01 -0.190978D+02 -0.250004D+01
               151           152           153           154           155 
      1  -0.448019D+00  0.170573D-01 -0.859175D+00  0.227617D+01 -0.152127D+01
      2   0.758962D+00  0.242870D+01  0.306288D+00  0.749570D+01 -0.374906D+01
      3  -0.243574D+00 -0.408194D+01 -0.208485D+01  0.545203D+01 -0.827892D+01
               156           157           158           159           160 
      1   0.151080D+01 -0.191933D+01  0.159398D+01 -0.238557D+01  0.741074D+00
      2   0.610284D+01 -0.404001D+01  0.419020D+01 -0.478844D+01  0.400234D+01
      3   0.112758D+01 -0.589385D+01  0.714765D+01 -0.189540D+01  0.117390D+01
               161           162           163           164           165 
      1  -0.143075D+00  0.951584D+00  0.219076D-01 -0.150309D+00 -0.583973D-01
      2  -0.260409D+01  0.187297D+01 -0.231966D+01 -0.176674D+00  0.837765D+00
      3  -0.338593D+01  0.182980D+01  0.756811D+00 -0.128082D+01  0.287813D-01
               166           167           168           169           170 
      1  -0.379908D+00 -0.326597D+00 -0.334121D+00  0.226112D+00  0.399855D+01
      2  -0.340052D+00 -0.140023D+01 -0.109407D+01 -0.781222D-01 -0.257948D+00
      3  -0.727682D+00 -0.754241D+00  0.191204D+01  0.301295D+00  0.329322D+01
               171 
      1  -0.117603D+01
      2  -0.251529D+02
      3   0.115657D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.100626D+01  0.183517D+02 -0.199652D+02  0.226661D+02 -0.232385D+02
      2  -0.538365D+01 -0.746505D+01  0.870260D+01 -0.107981D+02  0.632856D+01
      3   0.638990D+01 -0.108866D+02  0.112626D+02 -0.118680D+02  0.169099D+02
      4   0.224444D+02 -0.185392D+02  0.250923D+01 -0.283599D+02 -0.158121D+02
      5  -0.202858D+02 -0.801853D+00  0.512717D+01 -0.185477D+01 -0.904471D+01
      6  -0.705629D+00  0.208175D+01 -0.367172D+00  0.191890D+01  0.415214D+01
                 6             7             8             9            10 
      1   0.605955D+00 -0.238353D+02  0.268284D+01  0.999583D+01 -0.109888D+02
      2   0.407188D+00  0.747269D+01 -0.555318D+00  0.110021D+02  0.106973D+01
      3  -0.101314D+01  0.163626D+02 -0.212752D+01 -0.209980D+02  0.991904D+01
      4  -0.104328D+02  0.521984D+01 -0.125879D+02  0.321340D+01 -0.850094D+01
      5   0.129396D+01 -0.130899D+00  0.165260D+01  0.354027D+02  0.144051D+02
      6   0.146906D+01  0.929453D+00  0.164927D+01 -0.578323D+01 -0.586232D+01
                11            12            13            14            15 
      1  -0.608679D+01  0.126109D+02 -0.767827D+01  0.158162D+02  0.380706D+01
      2   0.203654D+01 -0.902625D+01  0.322718D+01 -0.190777D+02 -0.745338D+01
      3   0.405025D+01 -0.358461D+01  0.445109D+01  0.326150D+01  0.364632D+01
      4   0.676829D+01 -0.267599D+01  0.190490D+02  0.646020D+01  0.613100D+01
      5   0.845249D+00 -0.971671D+00  0.288097D+01  0.634908D+01  0.185186D+01
      6   0.345408D+00  0.391132D+00  0.137284D+01 -0.888184D+01  0.348240D+01
                16            17            18            19            20 
      1   0.174624D+02  0.265180D+01  0.542876D+01 -0.182096D+02 -0.332598D+01
      2  -0.809018D+01 -0.304858D+01 -0.104746D+01  0.213483D+02  0.314908D+01
      3  -0.937218D+01  0.396784D+00 -0.438130D+01 -0.313871D+01  0.176899D+00
      4  -0.305760D+01  0.532811D+01  0.200193D+01  0.517248D+01  0.376063D+01
      5  -0.684156D+00  0.297606D+01 -0.164982D+02  0.514345D+01 -0.598520D-01
      6  -0.468787D+00 -0.288576D+01  0.289610D+01  0.454703D+01 -0.706014D+00
                21            22            23            24            25 
      1   0.313219D+01 -0.250231D+01  0.127322D+01  0.504910D+01 -0.841635D+01
      2  -0.284576D+00  0.170709D+00 -0.662059D+01 -0.344449D+01  0.169445D+01
      3  -0.284761D+01  0.233160D+01  0.534737D+01 -0.160461D+01  0.672190D+01
      4   0.264944D+01 -0.144738D+02  0.858536D+00  0.496347D+00 -0.235801D+00
      5  -0.781764D+00  0.490393D+01  0.106827D+01 -0.682505D-01  0.133152D+01
      6   0.348690D+00  0.230443D+00  0.219185D+01 -0.547018D+01 -0.188175D+01
                26            27            28            29            30 
      1   0.304515D+01  0.107620D+02  0.130623D+02  0.123109D+02 -0.378020D+01
      2  -0.720241D+01  0.132294D+02 -0.136596D+02 -0.108734D+02 -0.159459D+01
      3   0.415726D+01 -0.239914D+02  0.597320D+00 -0.143750D+01  0.537479D+01
      4  -0.274055D+01 -0.817903D+00  0.215330D+01 -0.105331D+02 -0.894705D+01
      5  -0.219185D+01  0.271798D+01 -0.722803D+01 -0.959601D+01 -0.882177D+01
      6   0.173839D+01  0.444348D+01 -0.716295D+01 -0.230461D+01 -0.324195D+01
                31            32            33            34            35 
      1  -0.199921D+01  0.487179D+01  0.146489D+00 -0.941966D+01 -0.758363D+01
      2  -0.371448D+01 -0.135151D+02  0.676647D+01  0.356627D+01 -0.330278D+00
      3   0.571369D+01  0.864328D+01 -0.691296D+01  0.585339D+01  0.791391D+01
      4  -0.187207D+02 -0.212208D+02 -0.492278D+01 -0.172847D+02 -0.215854D+01
      5  -0.181327D+02 -0.749387D+01 -0.105359D+02 -0.370761D+01 -0.297554D+01
      6  -0.248414D+01 -0.923379D+01 -0.626448D+01  0.533373D+00  0.542738D-01
                36            37            38            39            40 
      1  -0.228040D+01 -0.207083D+02 -0.155547D+02  0.708444D+01 -0.228869D+02
      2  -0.506383D+00  0.134612D+02  0.787645D+01 -0.113214D+01  0.125071D+02
      3   0.278678D+01  0.724701D+01  0.767829D+01 -0.595230D+01  0.103798D+02
      4  -0.193269D+01 -0.201182D+02  0.763893D+01  0.661419D+01  0.108961D+02
      5   0.355633D+01  0.897352D+01  0.647549D+01  0.309880D+01  0.123142D+02
      6  -0.747275D+01  0.569985D+01 -0.250765D+00 -0.390098D+01 -0.149490D+01
                41            42            43            44            45 
      1  -0.180596D+01  0.413702D+01  0.831935D+01  0.296131D+01 -0.471843D+01
      2   0.621025D+01 -0.493946D+01 -0.411577D+01 -0.198251D+01 -0.659058D+01
      3  -0.440429D+01  0.802449D+00 -0.420357D+01 -0.978801D+00  0.113090D+02
      4  -0.144705D+02 -0.508708D+01  0.917064D+01 -0.487668D+01 -0.776375D+01
      5  -0.309615D+01 -0.816406D+01  0.730916D+01 -0.697212D+01 -0.146424D+02
      6   0.391403D+01  0.624026D+01 -0.404292D+01  0.515119D+01  0.373160D+01
                46            47            48            49            50 
      1   0.132801D+02  0.853474D+01 -0.122971D+02  0.733395D+01 -0.354327D+01
      2  -0.229639D+01 -0.215548D+00  0.462863D+01 -0.208636D+00  0.103515D+02
      3  -0.109837D+02 -0.831919D+01  0.766846D+01 -0.712531D+01 -0.680818D+01
      4   0.701902D+01 -0.154505D+02  0.901375D+01 -0.170562D+02 -0.755357D+00
      5  -0.623674D+01  0.110141D+02 -0.118974D+02  0.949848D+01 -0.201614D+02
      6   0.171980D+02 -0.111670D+02 -0.144281D+01 -0.127823D+02 -0.344201D+01
                51            52            53            54            55 
      1   0.166091D+01 -0.958812D+01 -0.134044D+00 -0.857555D+01  0.129652D+02
      2   0.460727D+01  0.254947D+01  0.410571D+01 -0.644939D+01 -0.132150D+02
      3  -0.626818D+01  0.703865D+01 -0.397167D+01  0.150249D+02  0.249760D+00
      4  -0.132887D+02  0.683801D+01 -0.888205D+01 -0.164268D+01  0.513675D+01
      5  -0.542654D+00 -0.123959D+02 -0.239366D+01  0.111287D+02 -0.242145D+01
      6  -0.152289D+02 -0.549221D+00 -0.107550D+02 -0.246034D+01  0.480745D+01
                56            57            58            59            60 
      1  -0.965313D+01  0.464292D+00 -0.787019D+01 -0.119553D+02 -0.424145D+01
      2   0.157083D+02 -0.331477D+01  0.157919D+02  0.205555D+02  0.656704D+01
      3  -0.605520D+01  0.285048D+01 -0.792173D+01 -0.860016D+01 -0.232559D+01
      4  -0.703440D+01  0.375708D+01  0.299597D+01  0.156479D+02 -0.442540D+01
      5   0.295093D+01  0.177796D+01 -0.634154D-01 -0.352885D+01  0.200702D+01
      6  -0.618244D+01  0.921570D+01 -0.654171D+01  0.569759D+01  0.195277D+01
                61            62            63            64            65 
      1   0.407620D+01 -0.124038D+01  0.217176D+01  0.152362D+02  0.641766D+01
      2  -0.421181D+01  0.666150D+01 -0.472764D+01 -0.492367D+01  0.148238D+01
      3   0.135608D+00 -0.542112D+01  0.255588D+01 -0.103126D+02 -0.790004D+01
      4   0.490998D+01 -0.273900D+01  0.921582D+01  0.183576D+02  0.201062D+02
      5   0.310786D+01  0.383899D+01 -0.103705D+01  0.138341D+02  0.922764D+01
      6   0.105575D+02 -0.161761D+01 -0.130438D+02  0.589650D+01  0.461998D+01
                66            67            68            69            70 
      1   0.382693D+01  0.889396D+01 -0.135691D+02 -0.493625D+01  0.747933D+01
      2  -0.361755D+01  0.158565D+01  0.309720D+02  0.157242D+01 -0.398906D+01
      3  -0.209385D+00 -0.104796D+02 -0.174029D+02  0.336383D+01 -0.349028D+01
      4   0.817007D+01  0.283661D+02  0.413695D+02  0.107766D+02  0.100044D+02
      5   0.146593D+02  0.121082D+02  0.138691D+02  0.150030D+02  0.154916D+02
      6   0.580525D+01  0.663811D+01  0.148484D+02  0.152516D+02  0.637148D+01
                71            72            73            74            75 
      1  -0.188674D+01 -0.514536D+01  0.171235D+01 -0.178861D+00 -0.677291D+00
      2   0.131584D+01 -0.299532D+01 -0.514223D+01  0.382057D+00  0.560802D+00
      3   0.570904D+00  0.814068D+01  0.342987D+01 -0.203197D+00  0.116490D+00
      4   0.886017D+01  0.122248D+02 -0.768062D+00  0.139299D+01 -0.134744D+01
      5   0.133526D+02  0.170338D+02 -0.151703D+01 -0.625749D+00  0.659588D+01
      6   0.136355D+02  0.116176D+02 -0.147773D+01  0.231777D+00  0.350175D+00
                76            77            78            79            80 
      1   0.115751D+01 -0.424259D+01  0.113274D+00  0.139178D+01  0.288047D+01
      2   0.397268D+00  0.789008D+00 -0.115995D+01  0.782417D+00 -0.125090D+01
      3  -0.155477D+01  0.345358D+01  0.104667D+01 -0.217420D+01 -0.162957D+01
      4   0.287403D+01 -0.368569D+00 -0.990917D-01 -0.135740D-01  0.738929D+00
      5  -0.913785D-01 -0.429173D+00 -0.473785D+00  0.543052D+01  0.617980D+00
      6   0.176012D+00 -0.106727D+01  0.731646D+01  0.174249D+00  0.512579D+01
                81            82            83            84            85 
      1  -0.206507D+02 -0.138767D+00 -0.232606D+01 -0.215595D+01 -0.429954D+01
      2  -0.171594D+02  0.349388D+01  0.282741D+01  0.193088D+01  0.425743D+01
      3   0.378101D+02 -0.335512D+01 -0.501351D+00  0.225068D+00  0.421142D-01
      4  -0.314537D+00  0.268973D+00  0.377680D+01  0.103458D+01  0.219922D+01
      5  -0.233866D+00 -0.163186D+01  0.683678D+00  0.123812D+01  0.834307D+00
      6  -0.723716D+01  0.194518D+01  0.982088D+00  0.604030D+00  0.696822D+00
                86            87            88            89            90 
      1  -0.183475D+02 -0.285018D+01 -0.375769D+01 -0.439138D+01 -0.531649D+01
      2   0.293181D+02  0.633666D+01  0.222967D+01  0.448019D+01  0.311140D+01
      3  -0.109705D+02 -0.348648D+01  0.152802D+01 -0.888088D-01  0.220510D+01
      4  -0.113039D+02 -0.311092D+01  0.139549D+00 -0.313878D+01 -0.212107D+01
      5  -0.322344D+01 -0.412064D+01  0.242668D+01 -0.253711D+01 -0.454117D+00
      6   0.909612D+01  0.660815D+01  0.118833D+01  0.864211D+01  0.489467D+01
                91            92            93            94            95 
      1   0.525674D+02  0.576194D+01 -0.135545D+02  0.197679D+02  0.670952D+01
      2  -0.299874D+02 -0.377455D+01  0.907557D+01 -0.108902D+02 -0.305584D+01
      3  -0.225800D+02 -0.198739D+01  0.447897D+01 -0.887768D+01 -0.365368D+01
      4   0.525910D+01  0.671389D+01 -0.137341D+01  0.109582D+02  0.457605D+01
      5  -0.204009D+02 -0.170961D+01  0.117969D+02 -0.920620D+01 -0.406791D+01
      6  -0.313319D+01 -0.100407D+01  0.128234D+01 -0.390894D+01 -0.202236D+01
                96            97            98            99           100 
      1  -0.592461D+01 -0.597929D+01 -0.447650D+00  0.618051D+01 -0.289888D+01
      2   0.389731D+01  0.545781D+01  0.653351D+00 -0.567725D+01  0.897815D+01
      3   0.202729D+01  0.521487D+00 -0.205701D+00 -0.503264D+00 -0.607927D+01
      4  -0.384970D+01 -0.885823D+00 -0.179835D+01  0.792376D+00 -0.896358D+01
      5   0.540027D+01  0.115696D+02  0.130798D+01 -0.786915D+01  0.323343D+01
      6   0.243948D+01  0.872840D+00  0.139396D+01 -0.102932D+01 -0.628846D+01
               101           102           103           104           105 
      1   0.819286D+01 -0.265174D+01  0.715174D+01 -0.142684D+02  0.430444D+01
      2  -0.157698D+02  0.444305D+01 -0.132627D+02  0.260854D+02 -0.717390D+01
      3   0.757695D+01 -0.179131D+01  0.611096D+01 -0.118170D+02  0.286946D+01
      4   0.145112D+02 -0.532102D+01  0.129712D+02 -0.139027D+02  0.501317D+01
      5  -0.319554D+01  0.351255D+01 -0.196168D+01  0.334555D+01 -0.178559D+01
      6   0.835171D+01 -0.649253D+01  0.673601D+01 -0.106376D+02  0.768595D+01
               106           107           108           109           110 
      1  -0.456015D+01  0.661051D+01 -0.564309D+01 -0.155959D+01  0.125509D+01
      2   0.587192D+01 -0.920215D+01  0.525276D+01  0.198746D+01 -0.119582D+01
      3  -0.131178D+01  0.259164D+01  0.390331D+00 -0.427868D+00 -0.592633D-01
      4  -0.689263D+01  0.680598D+01 -0.559262D+01  0.675247D+00  0.374813D+01
      5   0.359395D+01 -0.301904D+01  0.276972D+01 -0.105949D+01 -0.442398D+00
      6  -0.699688D+01  0.108461D+02 -0.776179D+01  0.291515D+00 -0.213227D+01
               111           112           113           114           115 
      1   0.173759D+01  0.102378D+01 -0.384989D+01 -0.274909D+01  0.131629D+01
      2  -0.109180D+01 -0.849258D+00  0.515236D+01  0.322655D+01 -0.160780D+01
      3  -0.645792D+00 -0.174527D+00 -0.130247D+01 -0.477468D+00  0.291508D+00
      4   0.473293D+00  0.320200D+01 -0.872807D+00 -0.137714D+01  0.369301D+01
      5   0.187965D+01 -0.184758D-01 -0.409001D+00 -0.286069D+00  0.115118D+01
      6  -0.324346D+01 -0.171675D+01  0.316266D+01  0.672213D+01 -0.386108D+01
               116           117           118           119           120 
      1  -0.628971D+01 -0.812401D+01  0.211506D+01  0.188694D+01  0.188316D+01
      2   0.788442D+01  0.164608D+01 -0.328180D+01 -0.266239D+01 -0.380758D+01
      3  -0.159471D+01  0.647793D+01  0.116674D+01  0.775457D+00  0.192442D+01
      4  -0.204131D+01 -0.370392D+01  0.339895D+01  0.682971D+01  0.156048D+01
      5  -0.129315D+01 -0.107070D+01  0.630139D+01  0.391880D+01  0.831026D+01
      6   0.781234D+01  0.211483D+02  0.182372D+01  0.536448D+01  0.227983D+01
               121           122           123           124           125 
      1   0.335826D+01 -0.300938D+01 -0.519163D+01  0.936362D+00 -0.298823D+01
      2  -0.434243D+01 -0.173620D+01 -0.715368D+01 -0.271950D+01 -0.427802D+01
      3   0.984170D+00  0.474558D+01  0.123453D+02  0.178314D+01  0.726625D+01
      4   0.639827D+01  0.124950D+02  0.749555D+01  0.791056D+00  0.497372D+01
      5   0.722454D+01  0.109233D+02  0.112338D+02  0.630715D+01  0.581741D+01
      6   0.566571D+01  0.174844D+02  0.112086D+02  0.228653D+01  0.104036D+02
               126           127           128           129           130 
      1  -0.471526D+01 -0.987592D+01 -0.612222D+01  0.135631D+02 -0.495451D+01
      2  -0.528572D+01  0.965722D+00  0.266321D+01  0.177903D+01  0.262834D+01
      3   0.100010D+02  0.891019D+01  0.345902D+01 -0.153421D+02  0.232617D+01
      4   0.440768D+01  0.585005D+01  0.361671D+01 -0.336764D+01  0.466789D+01
      5   0.757351D+01 -0.130229D+02 -0.383950D+01  0.586613D+01 -0.416484D+01
      6   0.701699D+01 -0.764739D+01 -0.603519D+01  0.769495D+01 -0.363703D+01
               131           132           133           134           135 
      1  -0.502269D+01  0.468831D+01  0.902000D+01  0.400952D+01 -0.107858D+02
      2   0.243288D+01 -0.145528D+01  0.140368D+01 -0.909354D+00 -0.363039D+01
      3   0.258981D+01 -0.323303D+01 -0.104237D+02 -0.310017D+01  0.144161D+02
      4   0.143980D+01  0.499865D+00 -0.243301D+01  0.303034D-01  0.229342D+01
      5   0.211603D+00  0.912857D+00  0.836515D+01  0.163091D+01 -0.485974D+01
      6  -0.489642D+01  0.747088D+01  0.482977D+01  0.625968D+01 -0.607284D+01
               136           137           138           139           140 
      1   0.119148D+02 -0.458235D+01  0.225756D+01 -0.520461D+01 -0.226187D+01
      2  -0.705271D+01  0.298452D-01 -0.543750D+01 -0.220207D-01  0.640267D+01
      3  -0.486211D+01  0.455250D+01  0.317995D+01  0.522663D+01 -0.414080D+01
      4  -0.167668D+02  0.153595D+02 -0.910718D+01  0.161792D+02 -0.172392D+02
      5   0.194381D+02 -0.125147D+02  0.164151D+02 -0.134077D+02  0.138335D+02
      6  -0.118669D+02  0.118886D+02 -0.890570D+01  0.113515D+02 -0.158029D+02
               141           142           143           144           145 
      1   0.310654D+01  0.134205D+01  0.219266D+01 -0.189614D+01  0.102254D+02
      2   0.399723D+00 -0.402152D+01  0.964298D+00 -0.404486D+01 -0.193770D+01
      3  -0.350626D+01  0.267947D+01 -0.315695D+01  0.594100D+01 -0.828775D+01
      4   0.101583D+02 -0.541536D+01  0.618975D+01 -0.717250D+01  0.742326D+01
      5  -0.111360D+02  0.121044D+02 -0.789268D+01  0.108882D+02  0.169283D+01
      6   0.136594D+02 -0.663255D+01  0.101345D+02 -0.897480D+01 -0.545481D+00
               146           147           148           149           150 
      1   0.671979D+01  0.291354D+01  0.157338D+02  0.924840D+01  0.192825D+00
      2  -0.152743D+01 -0.900161D+00 -0.546274D+01  0.509774D+01  0.173431D+01
      3  -0.519235D+01 -0.201338D+01 -0.102710D+02 -0.143461D+02 -0.192713D+01
      4   0.137923D+02  0.120591D+01  0.179448D+02  0.330092D+02  0.359951D+01
      5   0.269604D+00  0.231194D+01 -0.186977D+01  0.353116D+01  0.822543D+01
      6  -0.177800D+01  0.327230D+00 -0.147256D+01 -0.473284D+01  0.195806D+01
               151           152           153           154           155 
      1   0.779060D+01  0.157648D+01 -0.479161D-01  0.512445D+02 -0.184499D+02
      2  -0.296088D+01  0.427586D+00 -0.138061D+01 -0.214095D+02  0.584508D+01
      3  -0.482973D+01 -0.200407D+01  0.142853D+01 -0.298350D+02  0.126048D+02
      4   0.250782D+01  0.662327D+01  0.433299D+01 -0.254134D+02  0.189713D+02
      5   0.376954D+01  0.497961D+01 -0.427274D+00  0.198309D+01 -0.915521D+00
      6   0.113949D+01  0.240517D+01  0.118617D+01  0.182889D+01 -0.211951D+01
               156           157           158           159           160 
      1   0.665933D+01 -0.277039D+02  0.143994D+02 -0.211703D+01  0.164588D+02
      2  -0.214306D+01  0.933528D+01 -0.804848D-01 -0.533944D+00 -0.669651D+01
      3  -0.451627D+01  0.183686D+02 -0.143189D+02  0.265097D+01 -0.976228D+01
      4  -0.307554D+01  0.253363D+02 -0.193579D+02  0.410490D+01 -0.759591D+01
      5   0.820679D+01  0.276889D+00  0.236909D+01 -0.726535D+01  0.856892D+01
      6  -0.111554D+01 -0.190196D+01  0.103437D+01  0.240306D+01 -0.167849D+01
               161           162           163           164           165 
      1  -0.418997D+01  0.469216D+01  0.213033D+01 -0.171784D+01 -0.472936D+01
      2   0.799951D+00 -0.385440D+01 -0.354879D+01  0.766787D+00  0.306861D+01
      3   0.339002D+01 -0.837756D+00  0.141846D+01  0.951052D+00  0.166075D+01
      4   0.706433D+01 -0.534161D+01 -0.155279D+01  0.285055D+01  0.968302D-01
      5  -0.483094D+01  0.219151D+01 -0.395969D+01  0.184772D+00  0.752056D+01
      6   0.173351D+01 -0.999939D+00  0.651997D+00 -0.185954D+00  0.410804D+00
               166           167           168           169           170 
      1  -0.270444D+01  0.609469D+00 -0.104808D+01 -0.819738D+01 -0.705420D+00
      2   0.108355D+01 -0.123688D+01  0.291930D+00  0.922384D+01  0.220290D+00
      3   0.162089D+01  0.627407D+00  0.756151D+00 -0.102646D+01  0.485129D+00
      4   0.537321D+01  0.522920D+00 -0.444050D+01  0.540148D+00 -0.565141D+01
      5   0.729377D+00 -0.404613D+01 -0.154986D+01  0.171921D+02 -0.992670D+00
      6  -0.160489D+01  0.100506D+01  0.693993D+01 -0.169594D+01  0.655291D+01
               171 
      1  -0.118950D+02
      2  -0.214554D+02
      3   0.333504D+02
      4  -0.207916D+01
      5  -0.489288D+02
      6   0.577068D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 19:56:03 2021, MaxMem=  5368709120 cpu:            6285.0 elap:             787.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20829 -19.14783 -14.32485 -10.32315 -10.23249
 Alpha  occ. eigenvalues --  -10.19606 -10.17856 -10.17083  -1.12514  -1.03457
 Alpha  occ. eigenvalues --   -0.90934  -0.80221  -0.71501  -0.69247  -0.63283
 Alpha  occ. eigenvalues --   -0.56857  -0.52155  -0.51426  -0.49723  -0.46429
 Alpha  occ. eigenvalues --   -0.44656  -0.43942  -0.42061  -0.41558  -0.38874
 Alpha  occ. eigenvalues --   -0.37929  -0.35208  -0.34196  -0.33631  -0.32925
 Alpha  occ. eigenvalues --   -0.31113  -0.25086
 Alpha virt. eigenvalues --   -0.02075  -0.01206  -0.00048   0.00548   0.00778
 Alpha virt. eigenvalues --    0.02170   0.03017   0.03356   0.04225   0.04551
 Alpha virt. eigenvalues --    0.05772   0.06399   0.07024   0.07191   0.07944
 Alpha virt. eigenvalues --    0.08374   0.09371   0.09704   0.10049   0.10535
 Alpha virt. eigenvalues --    0.10688   0.11256   0.12038   0.12284   0.13015
 Alpha virt. eigenvalues --    0.13177   0.13797   0.14017   0.14700   0.14894
 Alpha virt. eigenvalues --    0.15564   0.15770   0.16241   0.17263   0.18578
 Alpha virt. eigenvalues --    0.18921   0.19763   0.20139   0.20618   0.21235
 Alpha virt. eigenvalues --    0.22033   0.22251   0.23702   0.23798   0.24072
 Alpha virt. eigenvalues --    0.24860   0.25898   0.26421   0.26671   0.26922
 Alpha virt. eigenvalues --    0.27845   0.28537   0.29348   0.29991   0.31808
 Alpha virt. eigenvalues --    0.32725   0.33041   0.33480   0.34798   0.35369
 Alpha virt. eigenvalues --    0.35532   0.36030   0.37027   0.37827   0.37968
 Alpha virt. eigenvalues --    0.38660   0.39816   0.40270   0.40829   0.41200
 Alpha virt. eigenvalues --    0.42047   0.42348   0.44147   0.44613   0.45071
 Alpha virt. eigenvalues --    0.45779   0.46368   0.46775   0.46923   0.48336
 Alpha virt. eigenvalues --    0.48846   0.49373   0.49504   0.50592   0.52206
 Alpha virt. eigenvalues --    0.52809   0.53865   0.54552   0.55869   0.56847
 Alpha virt. eigenvalues --    0.58253   0.58888   0.60059   0.60250   0.60810
 Alpha virt. eigenvalues --    0.61369   0.62490   0.62777   0.63275   0.65222
 Alpha virt. eigenvalues --    0.65857   0.66102   0.67097   0.67773   0.69563
 Alpha virt. eigenvalues --    0.70384   0.70863   0.71810   0.72454   0.74596
 Alpha virt. eigenvalues --    0.75657   0.76524   0.77374   0.78240   0.79050
 Alpha virt. eigenvalues --    0.79664   0.80987   0.82401   0.82642   0.83738
 Alpha virt. eigenvalues --    0.86091   0.86163   0.88404   0.90313   0.91557
 Alpha virt. eigenvalues --    0.92533   0.93229   0.94855   0.95620   0.96487
 Alpha virt. eigenvalues --    0.99120   1.00366   1.01852   1.02333   1.03897
 Alpha virt. eigenvalues --    1.05321   1.07789   1.08987   1.09594   1.12567
 Alpha virt. eigenvalues --    1.13443   1.15372   1.16521   1.17552   1.19784
 Alpha virt. eigenvalues --    1.20648   1.22718   1.24612   1.26708   1.28155
 Alpha virt. eigenvalues --    1.30245   1.32164   1.36134   1.37592   1.39831
 Alpha virt. eigenvalues --    1.41113   1.43587   1.45273   1.46958   1.49149
 Alpha virt. eigenvalues --    1.50605   1.54498   1.55717   1.56412   1.58216
 Alpha virt. eigenvalues --    1.60540   1.61702   1.64195   1.65976   1.67515
 Alpha virt. eigenvalues --    1.69110   1.70473   1.73895   1.75567   1.76220
 Alpha virt. eigenvalues --    1.78268   1.79886   1.80065   1.81571   1.83150
 Alpha virt. eigenvalues --    1.86222   1.87122   1.88431   1.89203   1.90667
 Alpha virt. eigenvalues --    1.92516   1.94121   1.94898   1.97405   1.98063
 Alpha virt. eigenvalues --    1.99872   2.02342   2.03076   2.05056   2.07712
 Alpha virt. eigenvalues --    2.08265   2.11458   2.13421   2.14355   2.16393
 Alpha virt. eigenvalues --    2.17760   2.19713   2.21357   2.22495   2.23396
 Alpha virt. eigenvalues --    2.24789   2.28308   2.28748   2.31052   2.32096
 Alpha virt. eigenvalues --    2.33875   2.35640   2.38625   2.39751   2.44031
 Alpha virt. eigenvalues --    2.47419   2.49778   2.51028   2.53209   2.54411
 Alpha virt. eigenvalues --    2.56430   2.59097   2.62432   2.65918   2.68192
 Alpha virt. eigenvalues --    2.69759   2.72472   2.75032   2.79797   2.81909
 Alpha virt. eigenvalues --    2.85518   2.88912   2.91970   2.93633   3.03409
 Alpha virt. eigenvalues --    3.08311   3.11661   3.28577   3.34083   3.36924
 Alpha virt. eigenvalues --    3.37017   3.39321   3.42210   3.43474   3.44505
 Alpha virt. eigenvalues --    3.45590   3.52696   3.63463   3.71192   3.88332
 Alpha virt. eigenvalues --    3.99888
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.036003  -0.304411   0.077405  -0.170423   0.002616  -0.194879
     2  C   -0.304411  10.217624  -1.649668   0.053720   0.110320  -0.427027
     3  C    0.077405  -1.649668  10.526408  -1.385039  -0.201809  -0.507307
     4  C   -0.170423   0.053720  -1.385039   7.277528  -0.223914  -0.095261
     5  O    0.002616   0.110320  -0.201809  -0.223914   8.382433   0.040321
     6  C   -0.194879  -0.427027  -0.507307  -0.095261   0.040321   4.859269
     7  N   -0.000568  -0.506743  -0.362032   0.050101   0.027938   0.208615
     8  O   -0.003703   0.096210   0.027992  -0.061437   0.023237   0.017308
     9  H   -0.037256   0.477371  -1.641408  -0.130509   0.052808   0.151298
    10  H    0.023738  -2.131599   0.279390  -0.020367  -0.005055   0.290490
    11  H    0.004710  -0.032877   0.151137  -0.136577   0.260098  -0.008119
    12  H   -0.029949   0.102694   0.120895  -0.002153  -0.005846  -0.045692
    13  H    0.020442   0.030562  -0.270544  -0.048687   0.022151   0.020946
    14  H   -0.103763  -0.165645   0.005529  -0.002133   0.011066   0.274701
    15  H   -0.136005   0.243308  -0.140683  -0.030602   0.019772   0.125501
    16  H    0.163035   0.063919   0.017881   0.045950  -0.007418  -0.053474
    17  H    0.390377  -0.216562  -0.038993   0.030353  -0.002045  -0.086665
    18  H    0.038478   0.161535   0.083350  -0.052990   0.001664   0.021623
    19  H   -0.088199   0.331106  -0.096892   0.047535  -0.000102  -0.021271
               7          8          9         10         11         12
     1  C   -0.000568  -0.003703  -0.037256   0.023738   0.004710  -0.029949
     2  C   -0.506743   0.096210   0.477371  -2.131599  -0.032877   0.102694
     3  C   -0.362032   0.027992  -1.641408   0.279390   0.151137   0.120895
     4  C    0.050101  -0.061437  -0.130509  -0.020367  -0.136577  -0.002153
     5  O    0.027938   0.023237   0.052808  -0.005055   0.260098  -0.005846
     6  C    0.208615   0.017308   0.151298   0.290490  -0.008119  -0.045692
     7  N    6.742812  -0.013167   0.212076   0.119278  -0.012872   0.145476
     8  O   -0.013167   8.506285   0.047662  -0.001039  -0.034725  -0.000206
     9  H    0.212076   0.047662   2.524785  -0.029355  -0.003382  -0.090782
    10  H    0.119278  -0.001039  -0.029355   3.253896   0.000894  -0.001921
    11  H   -0.012872  -0.034725  -0.003382   0.000894   0.665100   0.001240
    12  H    0.145476  -0.000206  -0.090782  -0.001921   0.001240   1.052996
    13  H    0.408421   0.001630   0.065819   0.001637  -0.005027  -0.150245
    14  H   -0.017835  -0.000505  -0.002352   0.129433  -0.000661  -0.005694
    15  H    0.050073   0.015711   0.024457  -0.025506  -0.003645  -0.001302
    16  H   -0.005255  -0.004268   0.005961  -0.113510   0.001707   0.000761
    17  H   -0.044485  -0.003069  -0.010087   0.149196   0.001225  -0.001694
    18  H   -0.008178   0.002104   0.023953  -0.099193  -0.000669   0.002122
    19  H    0.064671  -0.000019  -0.058911  -0.094953   0.000614  -0.001896
              13         14         15         16         17         18
     1  C    0.020442  -0.103763  -0.136005   0.163035   0.390377   0.038478
     2  C    0.030562  -0.165645   0.243308   0.063919  -0.216562   0.161535
     3  C   -0.270544   0.005529  -0.140683   0.017881  -0.038993   0.083350
     4  C   -0.048687  -0.002133  -0.030602   0.045950   0.030353  -0.052990
     5  O    0.022151   0.011066   0.019772  -0.007418  -0.002045   0.001664
     6  C    0.020946   0.274701   0.125501  -0.053474  -0.086665   0.021623
     7  N    0.408421  -0.017835   0.050073  -0.005255  -0.044485  -0.008178
     8  O    0.001630  -0.000505   0.015711  -0.004268  -0.003069   0.002104
     9  H    0.065819  -0.002352   0.024457   0.005961  -0.010087   0.023953
    10  H    0.001637   0.129433  -0.025506  -0.113510   0.149196  -0.099193
    11  H   -0.005027  -0.000661  -0.003645   0.001707   0.001225  -0.000669
    12  H   -0.150245  -0.005694  -0.001302   0.000761  -0.001694   0.002122
    13  H    0.902885   0.029167  -0.003483  -0.004468  -0.000491  -0.004073
    14  H    0.029167   1.957964  -0.326838  -0.518535  -0.006553  -0.021637
    15  H   -0.003483  -0.326838   2.013317  -0.491799   0.003945   0.015419
    16  H   -0.004468  -0.518535  -0.491799   2.257360  -0.009987  -0.014036
    17  H   -0.000491  -0.006553   0.003945  -0.009987   1.856937  -0.459829
    18  H   -0.004073  -0.021637   0.015419  -0.014036  -0.459829   2.044270
    19  H    0.003699  -0.000902  -0.022914   0.030729  -0.363669  -0.456370
              19
     1  C   -0.088199
     2  C    0.331106
     3  C   -0.096892
     4  C    0.047535
     5  O   -0.000102
     6  C   -0.021271
     7  N    0.064671
     8  O   -0.000019
     9  H   -0.058911
    10  H   -0.094953
    11  H    0.000614
    12  H   -0.001896
    13  H    0.003699
    14  H   -0.000902
    15  H   -0.022914
    16  H    0.030729
    17  H   -0.363669
    18  H   -0.456370
    19  H    2.034170
 Mulliken charges:
               1
     1  C    1.312352
     2  C   -0.453835
     3  C    1.004390
     4  C    0.854907
     5  O   -0.508234
     6  C    1.429625
     7  N   -0.058325
     8  O   -0.616002
     9  H   -0.582149
    10  H   -0.725453
    11  H    0.151829
    12  H   -0.088807
    13  H   -0.020341
    14  H   -0.234807
    15  H   -0.328726
    16  H   -0.364552
    17  H   -0.187903
    18  H   -0.277543
    19  H   -0.306425
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.540481
     2  C   -1.179289
     3  C    0.422241
     4  C    0.854907
     5  O   -0.356405
     6  C    0.501540
     7  N   -0.167473
     8  O   -0.616002
 Electronic spatial extent (au):  <R**2>=           1053.2288
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.4452    Y=              1.1093    Z=              1.0211  Tot=              1.5721
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -48.5910   YY=            -53.5813   ZZ=            -49.4177
   XY=             -5.3949   XZ=             -2.5035   YZ=             -2.6269
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.9390   YY=             -3.0513   ZZ=              1.1123
   XY=             -5.3949   XZ=             -2.5035   YZ=             -2.6269
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -35.3396  YYY=              7.9164  ZZZ=             -2.1593  XYY=             -3.3342
  XXY=              0.2721  XXZ=             11.2871  XZZ=             -5.5252  YZZ=              4.2266
  YYZ=              3.6613  XYZ=              7.1649
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -736.4017 YYYY=           -309.3625 ZZZZ=           -264.9109 XXXY=             -6.6689
 XXXZ=            -29.8989 YYYX=            -24.3789 YYYZ=             -0.8795 ZZZX=             -6.9817
 ZZZY=              2.1663 XXYY=           -203.3588 XXZZ=           -176.5503 YYZZ=            -93.8816
 XXYZ=            -11.5285 YYXZ=              0.3340 ZZXY=             -2.0528
 N-N= 4.077266068490D+02 E-N=-1.754835883924D+03  KE= 4.000098765141D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 19:56:04 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.15179232D-01 4.45633264D-01 4.10580196D-01
 Polarizability= 8.21626208D+01 1.97498350D-01 7.14152288D+01
                -2.30729257D+00 1.72901418D+00 6.96613793D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.3795    1.3794        0.5377    0.5377
 2     -1.3795   -1.3794       -0.9350   -0.9348       -6.2607   -6.2605
 3     -0.5377   -0.5377        7.4773    7.4781        0.9352    0.9348
 4      0.9350    0.9348        0.0000    0.0000       -0.5373   -0.5377
 5     -1.2166   -1.2176        0.5373    0.5377        1.3795    1.3794
 6     -0.9352   -0.9348       -1.3795   -1.3794       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -4.1382   -4.1382        1.6130    1.6130
 2      2.8044    2.8044        0.0000    0.0000        1.6130    1.6130
 3      2.8044    2.8044       -4.1382   -4.1382        0.0000    0.0000
 4     -4.1382   -4.1382       -2.8044   -2.8044      -18.7814  -18.7814
 5     -1.6130   -1.6130       22.4344   22.4344        2.8044    2.8044
 6     -3.6529   -3.6529        1.6130    1.6130        4.1382    4.1382
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0155    0.0000       -5.5635   -5.5176       -2.1611   -2.1507
 2      5.5479    5.5176        3.7328    3.7392       25.0609   25.0419
 3      2.1422    2.1507      -29.8820  -29.9125       -3.7102   -3.7392
 4     -3.7242   -3.7392       -0.0064    0.0000        2.1634    2.1507
 5      4.8676    4.8705       -2.1102   -2.1507       -5.5087   -5.5176
 6      3.7699    3.7392        5.4975    5.5176        0.0081    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0355    0.0000        7.1723    7.2887       -6.0760   -6.0522
 2     -7.2914   -7.2887        8.3278    8.2757       13.3007   13.3599
 3      6.0280    6.0522       19.3839   19.4344       -8.2851   -8.2757
 4     -8.2857   -8.2757        0.0459    0.0000        6.0415    6.0522
 5    -32.6831  -32.7943       -6.1120   -6.0522        7.3549    7.2887
 6      8.2528    8.2757       -7.2171   -7.2887        0.0226    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -6.7224   -6.6608       12.6685   12.5239       11.2179   11.2288
 2    -23.9170  -23.8847       17.5161   17.4709       11.2127   11.2288
 3    -23.9585  -23.8847       12.6860   12.5239       16.9597   16.9528
 4     -4.9797   -4.9471       17.2317   17.2239       21.7372   21.7508
 5      5.7331    5.7239       40.2138   40.2886      -17.2659  -17.2239
 6    -61.9387  -62.0394       -5.7103   -5.7239        5.0915    4.9471
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.6631   -0.0003    0.0002    0.0008    2.8052    3.8533
 Low frequencies ---   39.2409   76.5673  177.9153
 Diagonal vibrational polarizability:
       23.3408449      18.6359899      37.6192271
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     39.2342                76.5652               177.9152
 Red. masses --      6.6756                 2.9674                 3.6021
 Frc consts  --      0.0061                 0.0102                 0.0672
 IR Inten    --      1.3583                 0.1549                 0.5357
 RamAct Fr= 1--      0.9789                 0.4966                 0.5999
  Dep-P Fr= 1--      0.7384                 0.7392                 0.6494
  Dep-U Fr= 1--      0.8495                 0.8500                 0.7874
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0011
 Beta2  Fr= 1--      0.1386                 0.0704                 0.0787
 AlphaG Fr= 1--     -0.0023                -0.0001                -0.0038
 Gamma2 Fr= 1--      0.0492                 0.1256                 0.1183
 Delta2 Fr= 1--     -0.0325                 0.0451                 0.0966
 Raman1 Fr= 1--       3.915                  1.986                  2.400
 ROA1   Fr= 1--       3.679                 13.498                 14.448
 CID1   Fr= 1--       0.940                  6.796                  6.021
 Raman2 Fr= 1--       1.663                  0.844                  0.945
 ROA2   Fr= 1--       1.440                  2.654                  2.067
 CID2   Fr= 1--       0.866                  3.143                  2.188
 Raman3 Fr= 1--       3.326                  1.688                  1.890
 ROA3   Fr= 1--       3.679                 13.498                 14.448
 CID3   Fr= 1--       1.106                  7.995                  7.646
 RC180  Fr= 1--       0.699                  0.700                  0.575
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06  -0.06    -0.05  -0.16  -0.13    -0.02  -0.17  -0.01
     2   6     0.01  -0.01  -0.08    -0.01  -0.00   0.06    -0.10   0.04  -0.07
     3   6    -0.00   0.04   0.05     0.00   0.02   0.08    -0.01   0.15  -0.06
     4   6     0.00   0.01   0.05    -0.01  -0.00  -0.03     0.06   0.03  -0.00
     5   8    -0.20   0.23  -0.29    -0.10  -0.03  -0.08     0.04  -0.09   0.07
     6   6     0.03  -0.18  -0.09     0.15   0.17   0.05    -0.21   0.04  -0.06
     7   7     0.02   0.00   0.14    -0.01  -0.01   0.17     0.00   0.12   0.02
     8   8     0.16  -0.17   0.29     0.04   0.01  -0.09     0.21  -0.06   0.07
     9   1    -0.05   0.13   0.04     0.04   0.09   0.08    -0.03   0.20  -0.06
    10   1     0.01   0.03  -0.19    -0.11  -0.02   0.19    -0.22   0.08  -0.07
    11   1    -0.19   0.21  -0.29    -0.11  -0.04  -0.16     0.15  -0.23   0.16
    12   1    -0.03   0.04   0.26     0.02   0.03   0.17     0.02   0.16   0.05
    13   1     0.10  -0.08   0.17    -0.06  -0.06   0.16     0.00   0.07   0.03
    14   1     0.03  -0.22   0.02     0.33   0.18  -0.10    -0.02  -0.02  -0.05
    15   1     0.03  -0.23  -0.11     0.15   0.36   0.19    -0.30   0.25  -0.13
    16   1     0.03  -0.22  -0.17     0.08   0.11   0.06    -0.40  -0.13   0.00
    17   1     0.01   0.03   0.06     0.01  -0.12  -0.33     0.14  -0.20  -0.02
    18   1     0.01   0.02  -0.16    -0.03  -0.12  -0.08    -0.14  -0.29   0.04
    19   1    -0.02   0.20  -0.07    -0.14  -0.36  -0.12     0.01  -0.20  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    212.9229               220.2118               262.8489
 Red. masses --      1.0661                 1.1037                 1.8168
 Frc consts  --      0.0285                 0.0315                 0.0740
 IR Inten    --      7.5512                23.7414                 3.6001
 RamAct Fr= 1--      0.1615                 0.1092                 0.5391
  Dep-P Fr= 1--      0.3994                 0.7393                 0.2010
  Dep-U Fr= 1--      0.5709                 0.8501                 0.3347
 Alpha2 Fr= 1--      0.0012                 0.0000                 0.0073
 Beta2  Fr= 1--      0.0154                 0.0155                 0.0301
 AlphaG Fr= 1--      0.0032                 0.0011                -0.0072
 Gamma2 Fr= 1--     -0.0116                -0.0389                -0.0317
 Delta2 Fr= 1--      0.0102                 0.0314                -0.0427
 Raman1 Fr= 1--       0.646                  0.437                  2.156
 ROA1   Fr= 1--      -0.784                 -2.724                 -4.414
 CID1   Fr= 1--      -1.213                 -6.238                 -2.047
 Raman2 Fr= 1--       0.184                  0.186                  0.361
 ROA2   Fr= 1--      -0.359                 -1.184                 -0.420
 CID2   Fr= 1--      -1.949                 -6.380                 -1.164
 Raman3 Fr= 1--       0.369                  0.371                  0.722
 ROA3   Fr= 1--      -0.784                 -2.724                 -4.414
 CID3   Fr= 1--      -2.125                 -7.337                 -6.116
 RC180  Fr= 1--       0.142                  0.700                 -0.331
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.01     0.02  -0.01   0.02    -0.03   0.01   0.01
     2   6     0.01   0.00  -0.01     0.00   0.02   0.01    -0.01   0.00   0.05
     3   6     0.00  -0.01  -0.02    -0.01  -0.00  -0.00    -0.01   0.03   0.05
     4   6    -0.00  -0.01  -0.00    -0.01  -0.01   0.01    -0.01   0.03   0.03
     5   8     0.02   0.01  -0.00    -0.02  -0.01  -0.00    -0.08  -0.03   0.02
     6   6    -0.02  -0.01  -0.01     0.03   0.02   0.01     0.10  -0.12   0.04
     7   7     0.00  -0.02   0.00    -0.01   0.01  -0.06    -0.01   0.08  -0.11
     8   8    -0.02  -0.00   0.01    -0.01   0.00  -0.02     0.05   0.02  -0.02
     9   1    -0.01  -0.00  -0.02    -0.02  -0.04  -0.00     0.00  -0.07   0.05
    10   1     0.03  -0.00  -0.02    -0.00   0.02   0.02    -0.05   0.03   0.00
    11   1     0.01   0.03   0.01    -0.03  -0.00  -0.03    -0.06  -0.07  -0.04
    12   1    -0.21  -0.05   0.24    -0.37  -0.08   0.30     0.17   0.05  -0.38
    13   1     0.30  -0.11   0.07     0.49  -0.06   0.05    -0.23   0.27  -0.18
    14   1     0.28  -0.09  -0.01     0.20  -0.03   0.02     0.48  -0.25   0.09
    15   1    -0.11   0.29  -0.02    -0.00   0.17   0.04     0.04   0.19   0.11
    16   1    -0.25  -0.23  -0.00    -0.08  -0.10  -0.01    -0.14  -0.43  -0.09
    17   1    -0.21   0.18  -0.28     0.23  -0.14   0.31    -0.05   0.02  -0.02
    18   1     0.09   0.30   0.32    -0.07  -0.26  -0.24    -0.01   0.04   0.01
    19   1     0.15  -0.32   0.03    -0.07   0.34   0.01    -0.06  -0.02   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    265.7551               295.0881               334.4582
 Red. masses --      1.3991                 3.1095                 3.2511
 Frc consts  --      0.0582                 0.1595                 0.2143
 IR Inten    --     10.2376                 3.9312                 3.3343
 RamAct Fr= 1--      0.0621                 0.2454                 1.4086
  Dep-P Fr= 1--      0.4971                 0.5658                 0.3225
  Dep-U Fr= 1--      0.6641                 0.7227                 0.4877
 Alpha2 Fr= 1--      0.0003                 0.0009                 0.0135
 Beta2  Fr= 1--      0.0069                 0.0296                 0.1145
 AlphaG Fr= 1--      0.0001                -0.0035                 0.0026
 Gamma2 Fr= 1--     -0.0060                 0.1030                -0.2298
 Delta2 Fr= 1--      0.0263                 0.1408                -0.1043
 Raman1 Fr= 1--       0.248                  0.982                  5.634
 ROA1   Fr= 1--       0.264                 14.394                -25.395
 CID1   Fr= 1--       1.063                 14.663                 -4.507
 Raman2 Fr= 1--       0.082                  0.355                  1.374
 ROA2   Fr= 1--      -0.355                  1.346                 -4.680
 CID2   Fr= 1--      -4.307                  3.794                 -3.406
 Raman3 Fr= 1--       0.165                  0.709                  2.748
 ROA3   Fr= 1--       0.264                 14.394                -25.395
 CID3   Fr= 1--       1.601                 20.288                 -9.242
 RC180  Fr= 1--       0.328                  0.445                 -0.025
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.03    -0.14   0.14  -0.06    -0.19   0.05  -0.11
     2   6     0.01  -0.01  -0.04    -0.05  -0.05   0.02    -0.05  -0.02   0.12
     3   6     0.00  -0.03  -0.03    -0.01  -0.04   0.01     0.03  -0.02   0.00
     4   6    -0.00  -0.02  -0.02    -0.02   0.00   0.02     0.09  -0.01  -0.08
     5   8     0.05   0.03  -0.01    -0.08  -0.06   0.02     0.21   0.08  -0.06
     6   6    -0.01   0.06  -0.04    -0.09   0.07   0.02    -0.04  -0.07   0.14
     7   7    -0.03  -0.05   0.08     0.30  -0.08  -0.01    -0.10  -0.01   0.01
     8   8    -0.06  -0.02   0.03     0.05  -0.01  -0.01     0.06  -0.02  -0.02
     9   1     0.01   0.04  -0.03    -0.04  -0.06   0.01     0.17  -0.05   0.01
    10   1     0.04  -0.02  -0.03     0.02  -0.07   0.05    -0.06  -0.02   0.14
    11   1     0.05   0.05   0.04    -0.06  -0.11  -0.03     0.19   0.16   0.09
    12   1     0.25   0.03  -0.17     0.49   0.09  -0.03    -0.25  -0.10   0.08
    13   1    -0.43  -0.06  -0.00     0.33   0.00  -0.01    -0.07  -0.08   0.03
    14   1     0.35  -0.01  -0.13    -0.02   0.08  -0.05     0.01  -0.11   0.21
    15   1    -0.11   0.46  -0.01    -0.13   0.19   0.01    -0.06  -0.04   0.11
    16   1    -0.28  -0.20   0.03    -0.16   0.04   0.12    -0.10  -0.14   0.09
    17   1     0.09  -0.05   0.26    -0.24   0.13   0.04    -0.18   0.05  -0.12
    18   1    -0.01  -0.10  -0.12    -0.02   0.18  -0.25    -0.05   0.07  -0.39
    19   1     0.03   0.28   0.01    -0.28   0.29  -0.06    -0.51   0.14  -0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    395.1781               465.4944               570.4598
 Red. masses --      2.3729                 4.0234                 2.2409
 Frc consts  --      0.2183                 0.5137                 0.4297
 IR Inten    --      1.8310                 7.8585                38.9588
 RamAct Fr= 1--      0.4129                 3.9944                 1.4696
  Dep-P Fr= 1--      0.3054                 0.1727                 0.7055
  Dep-U Fr= 1--      0.4679                 0.2945                 0.8273
 Alpha2 Fr= 1--      0.0042                 0.0583                 0.0011
 Beta2  Fr= 1--      0.0322                 0.1960                 0.2026
 AlphaG Fr= 1--     -0.0280                 0.0536                 0.0177
 Gamma2 Fr= 1--      0.0950                 0.8626                -1.3972
 Delta2 Fr= 1--     -0.0854                -0.0300                 0.2864
 Raman1 Fr= 1--       1.652                 15.978                  5.879
 ROA1   Fr= 1--       6.391                 81.847               -124.966
 CID1   Fr= 1--       3.869                  5.123                -21.258
 Raman2 Fr= 1--       0.386                  2.352                  2.432
 ROA2   Fr= 1--       2.964                 20.941                -35.824
 CID2   Fr= 1--       7.672                  8.902                -14.732
 Raman3 Fr= 1--       0.773                  4.705                  4.863
 ROA3   Fr= 1--       6.391                 81.847               -124.966
 CID3   Fr= 1--       8.270                 17.396                -25.695
 RC180  Fr= 1--      -0.064                 -0.411                  0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.00   0.16    -0.05   0.00   0.05    -0.05  -0.01   0.03
     2   6    -0.15  -0.03  -0.02    -0.03  -0.19  -0.08    -0.04  -0.00  -0.04
     3   6    -0.06   0.05  -0.09    -0.01  -0.12   0.05    -0.00   0.02   0.14
     4   6    -0.03   0.03  -0.09     0.08   0.07   0.14     0.05  -0.15   0.09
     5   8     0.06   0.00  -0.02    -0.04   0.09   0.07     0.11  -0.01  -0.03
     6   6     0.15   0.01  -0.04    -0.01   0.05  -0.11    -0.01   0.01  -0.07
     7   7     0.04  -0.00   0.01    -0.13  -0.11  -0.03     0.03   0.11   0.00
     8   8     0.02  -0.05   0.02     0.23   0.14  -0.08    -0.06  -0.06  -0.05
     9   1     0.01   0.08  -0.08    -0.16  -0.16   0.04    -0.11   0.06   0.13
    10   1    -0.18  -0.03  -0.01    -0.02  -0.19  -0.08    -0.10   0.03  -0.08
    11   1     0.15  -0.07   0.20    -0.13   0.18  -0.14    -0.32   0.54  -0.51
    12   1     0.07   0.10   0.10    -0.30  -0.28  -0.03     0.03   0.04  -0.09
    13   1     0.10  -0.09   0.03    -0.13  -0.09  -0.03     0.13   0.32  -0.00
    14   1     0.20   0.04  -0.17    -0.01   0.16  -0.39    -0.01   0.05  -0.16
    15   1     0.32  -0.07   0.28     0.00   0.17  -0.01     0.00   0.05  -0.03
    16   1     0.34   0.10  -0.26     0.01   0.16   0.08     0.01   0.06  -0.04
    17   1    -0.23  -0.00   0.26    -0.28   0.01   0.22    -0.10  -0.01   0.06
    18   1    -0.16   0.03   0.30     0.03   0.10   0.07    -0.06   0.01   0.08
    19   1     0.10   0.05   0.15     0.09   0.15   0.05     0.02   0.01   0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    610.1755               652.1450               720.2142
 Red. masses --      2.7240                 1.7119                 2.8649
 Frc consts  --      0.5975                 0.4290                 0.8755
 IR Inten    --     26.0524                61.8391                41.4201
 RamAct Fr= 1--      0.5332                 3.3867                14.4002
  Dep-P Fr= 1--      0.6807                 0.1104                 0.0728
  Dep-U Fr= 1--      0.8100                 0.1989                 0.1357
 Alpha2 Fr= 1--      0.0007                 0.0578                 0.2693
 Beta2  Fr= 1--      0.0720                 0.1123                 0.3258
 AlphaG Fr= 1--     -0.0002                 0.0321                 0.2554
 Gamma2 Fr= 1--      0.4248                -0.1711                -1.0203
 Delta2 Fr= 1--      0.2587                 0.0071                 0.2175
 Raman1 Fr= 1--       2.133                 13.547                 57.601
 ROA1   Fr= 1--      49.061                -16.201                -90.991
 CID1   Fr= 1--      23.004                 -1.196                 -1.580
 Raman2 Fr= 1--       0.864                  1.347                  3.909
 ROA2   Fr= 1--       8.125                 -4.163                -26.228
 CID2   Fr= 1--       9.406                 -3.091                 -6.709
 Raman3 Fr= 1--       1.728                  2.694                  7.819
 ROA3   Fr= 1--      49.061                -16.201                -90.991
 CID3   Fr= 1--      28.398                 -6.014                -11.638
 RC180  Fr= 1--       0.620                 -0.602                 -0.729
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.01     0.04  -0.00  -0.01    -0.09   0.00   0.04
     2   6    -0.04   0.21   0.01     0.03  -0.05  -0.01    -0.05   0.15  -0.01
     3   6    -0.14  -0.04  -0.03    -0.05  -0.01   0.12     0.06  -0.05   0.08
     4   6    -0.07  -0.06   0.05    -0.07  -0.06   0.00     0.18  -0.06   0.15
     5   8     0.03   0.10   0.06    -0.00   0.09  -0.03    -0.00  -0.03  -0.14
     6   6     0.00   0.01   0.02    -0.00  -0.00  -0.02    -0.01   0.03  -0.09
     7   7     0.02  -0.15  -0.00     0.01   0.06  -0.00     0.00  -0.08  -0.01
     8   8     0.11  -0.04  -0.10     0.02  -0.06  -0.09    -0.06   0.11   0.01
     9   1    -0.24  -0.09  -0.03    -0.05   0.02   0.12    -0.06  -0.10   0.07
    10   1     0.07   0.15   0.07     0.02  -0.04  -0.04    -0.03   0.14  -0.00
    11   1    -0.18   0.44   0.06     0.31  -0.17   0.82     0.39  -0.57   0.25
    12   1     0.28   0.08  -0.03     0.00   0.01  -0.05     0.02  -0.12  -0.08
    13   1     0.01  -0.15  -0.01     0.15   0.24   0.01    -0.00   0.01  -0.02
    14   1     0.05  -0.12   0.30    -0.04   0.05  -0.11     0.03  -0.05   0.08
    15   1     0.03  -0.13  -0.00    -0.04   0.07  -0.06     0.02  -0.07  -0.07
    16   1    -0.00  -0.12  -0.24    -0.03   0.04   0.13    -0.00  -0.05  -0.30
    17   1     0.32  -0.03  -0.12    -0.01   0.01   0.01     0.10  -0.03  -0.03
    18   1    -0.18  -0.18   0.10     0.06   0.03  -0.01    -0.25  -0.13   0.13
    19   1     0.06  -0.15   0.00     0.06   0.02  -0.01    -0.06  -0.11   0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    821.9905               834.1573               901.4464
 Red. masses --      2.0755                 3.3812                 2.1094
 Frc consts  --      0.8263                 1.3862                 1.0099
 IR Inten    --    105.5367                 4.2802                63.8798
 RamAct Fr= 1--      0.6695                 6.8052                 0.9837
  Dep-P Fr= 1--      0.7118                 0.0557                 0.5158
  Dep-U Fr= 1--      0.8316                 0.1056                 0.6806
 Alpha2 Fr= 1--      0.0004                 0.1326                 0.0045
 Beta2  Fr= 1--      0.0928                 0.1197                 0.1116
 AlphaG Fr= 1--      0.0096                -0.1352                -0.0035
 Gamma2 Fr= 1--     -0.0476                 0.2611                -0.1963
 Delta2 Fr= 1--      0.1387                 0.0660                 0.1387
 Raman1 Fr= 1--       2.678                 27.221                  3.935
 ROA1   Fr= 1--      -0.131                 27.182                -14.405
 CID1   Fr= 1--      -0.049                  0.999                 -3.661
 Raman2 Fr= 1--       1.113                  1.437                  1.339
 ROA2   Fr= 1--      -2.251                  5.740                 -5.821
 CID2   Fr= 1--      -2.022                  3.994                 -4.347
 Raman3 Fr= 1--       2.227                  2.874                  2.678
 ROA3   Fr= 1--      -0.131                 27.182                -14.405
 CID3   Fr= 1--      -0.059                  9.458                 -5.379
 RC180  Fr= 1--       0.663                 -0.789                  0.361
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.01  -0.04     0.07  -0.02  -0.05    -0.07  -0.06   0.07
     2   6    -0.01  -0.04  -0.02    -0.03  -0.08  -0.08     0.10   0.00   0.05
     3   6    -0.15   0.03   0.07    -0.08   0.07  -0.20     0.11   0.08  -0.09
     4   6     0.02   0.08  -0.03     0.12  -0.15   0.22     0.03  -0.07   0.04
     5   8     0.08  -0.06  -0.07    -0.02   0.03  -0.06    -0.06   0.05   0.05
     6   6    -0.00  -0.01   0.05    -0.01  -0.02   0.19     0.03   0.02  -0.08
     7   7    -0.11  -0.10  -0.01     0.01   0.07   0.01    -0.11  -0.05   0.00
     8   8     0.01   0.05   0.05    -0.03   0.04  -0.06    -0.01  -0.03  -0.03
     9   1    -0.16   0.06   0.07    -0.43   0.11  -0.22     0.17   0.10  -0.09
    10   1    -0.03  -0.02  -0.04    -0.09  -0.09  -0.01    -0.02   0.01   0.11
    11   1     0.10  -0.14  -0.20     0.06  -0.07   0.10    -0.05   0.05   0.07
    12   1     0.45   0.33  -0.13     0.08   0.26   0.15     0.42   0.40  -0.05
    13   1     0.55   0.32   0.06    -0.14  -0.24   0.01     0.43   0.09   0.07
    14   1    -0.01   0.03  -0.03     0.04  -0.00   0.11    -0.04  -0.03   0.07
    15   1    -0.01   0.04   0.07     0.06  -0.01   0.37    -0.04  -0.04  -0.28
    16   1     0.00   0.04   0.15     0.05   0.02   0.14    -0.04  -0.04  -0.03
    17   1     0.04   0.00   0.01    -0.18   0.01   0.08    -0.25   0.00   0.03
    18   1     0.06   0.02   0.00     0.21   0.14  -0.07     0.14   0.10  -0.12
    19   1     0.15   0.04  -0.04     0.15   0.15  -0.06    -0.31   0.02   0.07
                     19                     20                     21
                      A                      A                      A
 Frequencies --    939.5196               950.7170               974.6172
 Red. masses --      1.2931                 1.9895                 1.5450
 Frc consts  --      0.6725                 1.0595                 0.8646
 IR Inten    --     13.5562                 8.9767                 3.6334
 RamAct Fr= 1--      1.5872                 4.8942                 1.9158
  Dep-P Fr= 1--      0.4861                 0.6948                 0.7229
  Dep-U Fr= 1--      0.6542                 0.8199                 0.8392
 Alpha2 Fr= 1--      0.0083                 0.0047                 0.0009
 Beta2  Fr= 1--      0.1731                 0.6688                 0.2679
 AlphaG Fr= 1--     -0.0102                -0.0054                -0.0058
 Gamma2 Fr= 1--      0.7084                 0.8081                 0.2094
 Delta2 Fr= 1--      0.3965                -0.1576                 0.1399
 Raman1 Fr= 1--       6.349                 19.577                  7.663
 ROA1   Fr= 1--      80.696                 72.535                 24.582
 CID1   Fr= 1--      12.711                  3.705                  3.208
 Raman2 Fr= 1--       2.077                  8.026                  3.215
 ROA2   Fr= 1--      13.829                 20.656                  3.908
 CID2   Fr= 1--       6.659                  2.574                  1.215
 Raman3 Fr= 1--       4.153                 16.052                  6.431
 ROA3   Fr= 1--      80.696                 72.535                 24.582
 CID3   Fr= 1--      19.429                  4.519                  3.823
 RC180  Fr= 1--       0.308                  0.640                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05   0.03     0.05  -0.01  -0.10    -0.12   0.04  -0.02
     2   6    -0.05   0.00   0.01    -0.11   0.03  -0.07     0.04   0.02  -0.09
     3   6     0.06   0.02  -0.01     0.17   0.03   0.05     0.04   0.02  -0.01
     4   6     0.01  -0.02   0.01     0.01  -0.02  -0.03     0.01  -0.01  -0.01
     5   8    -0.02   0.02   0.02    -0.04   0.03   0.05    -0.02   0.01   0.02
     6   6    -0.07  -0.06   0.01    -0.04   0.03   0.07     0.07  -0.05   0.09
     7   7    -0.02  -0.03  -0.00    -0.03  -0.08  -0.01    -0.01  -0.02  -0.01
     8   8    -0.01  -0.01  -0.01    -0.01  -0.03  -0.01    -0.01  -0.01  -0.01
     9   1     0.13   0.04  -0.01     0.27   0.13   0.05     0.08   0.05  -0.01
    10   1     0.06   0.10  -0.33    -0.40   0.07   0.03     0.11   0.07  -0.28
    11   1    -0.02   0.01   0.02    -0.03   0.03   0.05    -0.01   0.00   0.01
    12   1     0.06   0.02  -0.04     0.01  -0.17  -0.16     0.03   0.01  -0.01
    13   1     0.09   0.03   0.01     0.14   0.15  -0.01     0.04  -0.00   0.00
    14   1     0.11   0.09  -0.46     0.05  -0.05   0.20    -0.14   0.09  -0.08
    15   1     0.10   0.13   0.48     0.05  -0.08   0.21    -0.09   0.14  -0.15
    16   1     0.16   0.16  -0.02     0.03  -0.02  -0.20    -0.04   0.06   0.57
    17   1     0.30   0.06  -0.25    -0.22  -0.02   0.21     0.15  -0.06   0.07
    18   1     0.01  -0.08  -0.14     0.06   0.13   0.12    -0.46  -0.20   0.28
    19   1    -0.27  -0.17   0.04     0.46   0.25  -0.12     0.23  -0.09  -0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1066.4707              1092.5092              1160.7584
 Red. masses --      1.5746                 1.6258                 2.3788
 Frc consts  --      1.0552                 1.1433                 1.8884
 IR Inten    --     41.5288                20.3666               134.9912
 RamAct Fr= 1--      4.5462                 4.6524                 0.6895
  Dep-P Fr= 1--      0.3966                 0.5993                 0.7403
  Dep-U Fr= 1--      0.5679                 0.7495                 0.8508
 Alpha2 Fr= 1--      0.0341                 0.0130                 0.0001
 Beta2  Fr= 1--      0.4303                 0.5811                 0.0978
 AlphaG Fr= 1--     -0.0513                -0.0248                 0.0013
 Gamma2 Fr= 1--      0.2818                -1.5963                -0.2305
 Delta2 Fr= 1--      0.6584                -0.7480                -0.8375
 Raman1 Fr= 1--      18.185                 18.610                  2.758
 ROA1   Fr= 1--      48.124               -177.178                -48.929
 CID1   Fr= 1--       2.646                 -9.521                -17.741
 Raman2 Fr= 1--       5.164                  6.974                  1.173
 ROA2   Fr= 1--       1.496                -32.327                  1.168
 CID2   Fr= 1--       0.290                 -4.636                  0.996
 Raman3 Fr= 1--      10.327                 13.947                  2.346
 ROA3   Fr= 1--      48.124               -177.178                -48.929
 CID3   Fr= 1--       4.660                -12.703                -20.853
 RC180  Fr= 1--       0.136                  0.499                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.05  -0.00    -0.03  -0.05   0.09     0.04   0.04   0.01
     2   6     0.03  -0.08  -0.06     0.07   0.02  -0.13    -0.06  -0.05   0.05
     3   6     0.03  -0.11  -0.04     0.01   0.07   0.03    -0.12   0.08   0.02
     4   6     0.02   0.00  -0.03    -0.04   0.02  -0.01     0.17  -0.06  -0.08
     5   8    -0.02   0.03   0.03     0.01  -0.02  -0.02    -0.05   0.12   0.11
     6   6    -0.05   0.06   0.03     0.00   0.03   0.07     0.04  -0.00  -0.03
     7   7    -0.03   0.07   0.05     0.03  -0.08  -0.01     0.04  -0.05  -0.01
     8   8     0.00  -0.01  -0.00     0.00   0.00   0.01    -0.04  -0.06  -0.03
     9   1    -0.07   0.16  -0.05    -0.35   0.50  -0.00    -0.02   0.33   0.02
    10   1     0.45  -0.25   0.12     0.10   0.04  -0.20    -0.06  -0.08   0.17
    11   1     0.03  -0.08  -0.07    -0.02   0.07   0.07     0.21  -0.49  -0.48
    12   1     0.05   0.03  -0.10    -0.18  -0.40  -0.16    -0.15  -0.27  -0.07
    13   1     0.19   0.34   0.06    -0.05   0.16  -0.05    -0.07   0.13  -0.04
    14   1     0.13  -0.09   0.25     0.03  -0.02   0.18    -0.08   0.01   0.02
    15   1     0.08  -0.14   0.19     0.02  -0.04   0.07    -0.04   0.01  -0.20
    16   1     0.01  -0.07  -0.39     0.00  -0.02  -0.01    -0.06  -0.04   0.10
    17   1     0.20  -0.02  -0.03    -0.16   0.02  -0.07     0.16   0.03  -0.08
    18   1    -0.26  -0.16   0.09     0.16   0.05  -0.16     0.02  -0.02  -0.05
    19   1     0.04  -0.12   0.00    -0.36  -0.04   0.09    -0.02  -0.05   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1173.5198              1209.7981              1230.6545
 Red. masses --      2.0171                 2.1235                 1.7620
 Frc consts  --      1.6366                 1.8311                 1.5723
 IR Inten    --     68.2642                 4.4973                10.5687
 RamAct Fr= 1--      7.2355                 2.8050                 2.7604
  Dep-P Fr= 1--      0.5202                 0.6339                 0.4159
  Dep-U Fr= 1--      0.6844                 0.7760                 0.5875
 Alpha2 Fr= 1--      0.0324                 0.0059                 0.0193
 Beta2  Fr= 1--      0.8253                 0.3628                 0.2703
 AlphaG Fr= 1--     -0.0001                -0.0129                 0.0245
 Gamma2 Fr= 1--      0.0873                -0.7153                -0.8997
 Delta2 Fr= 1--      0.3562                 0.2132                -0.4787
 Raman1 Fr= 1--      28.942                 11.220                 11.042
 ROA1   Fr= 1--      19.782                -61.849               -101.691
 CID1   Fr= 1--       0.683                 -5.512                 -9.210
 Raman2 Fr= 1--       9.904                  4.353                  3.243
 ROA2   Fr= 1--      -0.754                -18.874                -17.763
 CID2   Fr= 1--      -0.076                 -4.336                 -5.477
 Raman3 Fr= 1--      19.808                  8.706                  6.487
 ROA3   Fr= 1--      19.782                -61.849               -101.691
 CID3   Fr= 1--       0.999                 -7.104                -15.677
 RC180  Fr= 1--       0.369                  0.552                  0.175
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.11   0.01    -0.08  -0.03  -0.09     0.01  -0.04  -0.03
     2   6     0.09   0.13  -0.08     0.17   0.00   0.11    -0.03   0.12   0.07
     3   6    -0.04  -0.12   0.05    -0.05   0.14   0.03    -0.01  -0.11  -0.12
     4   6     0.04   0.01  -0.08     0.02  -0.01  -0.01    -0.03   0.00   0.03
     5   8    -0.01   0.07   0.06    -0.00  -0.01  -0.01     0.00  -0.01  -0.01
     6   6    -0.05  -0.02   0.04    -0.11  -0.04  -0.04     0.01  -0.09  -0.02
     7   7     0.00   0.06   0.01     0.01  -0.06  -0.04     0.01   0.02   0.07
     8   8    -0.01  -0.03  -0.01    -0.01  -0.00   0.00     0.01   0.02   0.00
     9   1    -0.09  -0.36   0.04    -0.09   0.20   0.04    -0.05   0.34  -0.13
    10   1     0.05   0.21  -0.29     0.32  -0.06   0.22     0.09   0.01   0.29
    11   1     0.16  -0.34  -0.31    -0.03   0.06   0.06    -0.01   0.01   0.01
    12   1     0.08   0.20   0.10    -0.05  -0.05   0.04    -0.10  -0.32  -0.20
    13   1    -0.01  -0.06   0.02    -0.10  -0.17  -0.05     0.15   0.52   0.04
    14   1     0.07   0.01  -0.10     0.19  -0.01  -0.29    -0.08   0.06  -0.32
    15   1     0.03   0.06   0.24     0.06   0.01   0.32    -0.05   0.17  -0.00
    16   1     0.09   0.09  -0.03     0.14   0.11  -0.26     0.06   0.07   0.19
    17   1    -0.40  -0.03   0.12    -0.12  -0.11   0.27    -0.15  -0.02   0.08
    18   1     0.17   0.13  -0.01    -0.18   0.02   0.25     0.08   0.09   0.04
    19   1    -0.08   0.15   0.00     0.32   0.09  -0.09     0.08   0.14  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1296.8328              1345.4981              1368.8359
 Red. masses --      1.2772                 2.2696                 1.4151
 Frc consts  --      1.2656                 2.4209                 1.5622
 IR Inten    --      0.8412                28.0251                 3.7505
 RamAct Fr= 1--      3.3517                 5.0259                 6.9468
  Dep-P Fr= 1--      0.6946                 0.6284                 0.5912
  Dep-U Fr= 1--      0.8198                 0.7718                 0.7431
 Alpha2 Fr= 1--      0.0032                 0.0111                 0.0205
 Beta2  Fr= 1--      0.4580                 0.6465                 0.8603
 AlphaG Fr= 1--     -0.0131                -0.0119                 0.0875
 Gamma2 Fr= 1--      0.2568                 0.8596                -0.1730
 Delta2 Fr= 1--     -0.4439                 0.2579                -1.2676
 Raman1 Fr= 1--      13.407                 20.103                 27.787
 ROA1   Fr= 1--      10.451                 90.769                -57.168
 CID1   Fr= 1--       0.780                  4.515                 -2.057
 Raman2 Fr= 1--       5.495                  7.758                 10.324
 ROA2   Fr= 1--       9.716                 18.566                  5.990
 CID2   Fr= 1--       1.768                  2.393                  0.580
 Raman3 Fr= 1--      10.991                 15.515                 20.648
 ROA3   Fr= 1--      10.451                 90.769                -57.168
 CID3   Fr= 1--       0.951                  5.850                 -2.769
 RC180  Fr= 1--       0.640                  0.544                  0.486
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.00     0.02  -0.02   0.01     0.02  -0.05  -0.00
     2   6     0.01  -0.00  -0.02    -0.05   0.03  -0.03    -0.13   0.04  -0.03
     3   6    -0.13   0.02  -0.03    -0.04  -0.03   0.04     0.06   0.04   0.06
     4   6     0.02  -0.03   0.04     0.22  -0.05  -0.18    -0.04   0.00   0.02
     5   8    -0.01  -0.01  -0.01    -0.08  -0.04   0.02     0.02   0.01  -0.00
     6   6    -0.00   0.03   0.01     0.01  -0.02   0.01     0.03  -0.02  -0.01
     7   7     0.02  -0.01   0.01    -0.00   0.01  -0.00    -0.01  -0.00  -0.04
     8   8     0.00   0.03   0.01    -0.02   0.06   0.05     0.00  -0.01  -0.01
     9   1     0.85  -0.03   0.04    -0.19  -0.07   0.02     0.04   0.11   0.06
    10   1     0.26   0.03  -0.29     0.17  -0.09   0.16     0.80  -0.26   0.18
    11   1    -0.05   0.09   0.07    -0.31   0.57   0.58     0.06  -0.10  -0.10
    12   1    -0.07  -0.12  -0.03     0.04   0.08   0.03     0.06   0.15   0.07
    13   1    -0.00   0.16  -0.00     0.02  -0.00   0.00    -0.04  -0.26  -0.02
    14   1     0.02  -0.02   0.12    -0.06   0.02  -0.05    -0.12   0.01   0.01
    15   1     0.03  -0.04   0.03    -0.04   0.07  -0.04    -0.00   0.09   0.01
    16   1    -0.03  -0.02  -0.03     0.02   0.00   0.03    -0.04  -0.02   0.12
    17   1    -0.09  -0.01   0.01    -0.06   0.02  -0.04    -0.10   0.00  -0.05
    18   1     0.07   0.04  -0.03     0.05   0.00  -0.02     0.11   0.06  -0.02
    19   1     0.01   0.04  -0.01    -0.05   0.04   0.01     0.00   0.14  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1375.8114              1402.7931              1404.3504
 Red. masses --      1.3525                 1.2654                 1.2767
 Frc consts  --      1.5084                 1.4671                 1.4836
 IR Inten    --      0.9763                 8.7544                 7.9470
 RamAct Fr= 1--      4.3456                 3.6255                 0.2640
  Dep-P Fr= 1--      0.6999                 0.4362                 0.7482
  Dep-U Fr= 1--      0.8234                 0.6075                 0.8560
 Alpha2 Fr= 1--      0.0038                 0.0235                 0.0000
 Beta2  Fr= 1--      0.5964                 0.3671                 0.0377
 AlphaG Fr= 1--     -0.0013                 0.0209                 0.0001
 Gamma2 Fr= 1--     -1.5248                 1.0742                -0.0209
 Delta2 Fr= 1--      0.0910                 0.0242                -0.0221
 Raman1 Fr= 1--      17.382                 14.502                  1.056
 ROA1   Fr= 1--    -143.470                103.899                 -2.712
 CID1   Fr= 1--      -8.254                  7.165                 -2.568
 Raman2 Fr= 1--       7.157                  4.405                  0.452
 ROA2   Fr= 1--     -37.323                 25.588                 -0.325
 CID2   Fr= 1--      -5.215                  5.809                 -0.719
 Raman3 Fr= 1--      14.314                  8.809                  0.904
 ROA3   Fr= 1--    -143.470                103.899                 -2.712
 CID3   Fr= 1--     -10.023                 11.794                 -3.001
 RC180  Fr= 1--       0.647                  0.215                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.04    -0.00   0.00  -0.00    -0.10  -0.02   0.06
     2   6     0.05   0.03  -0.14     0.00   0.00   0.03     0.02   0.01  -0.05
     3   6    -0.03  -0.01   0.03    -0.01  -0.12   0.03    -0.00   0.03   0.00
     4   6    -0.01  -0.00   0.02    -0.00  -0.01   0.00    -0.01   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.03  -0.05  -0.01     0.01   0.01   0.05    -0.00  -0.01   0.08
     7   7     0.00   0.00  -0.02    -0.00   0.02  -0.06     0.00  -0.00   0.01
     8   8     0.00   0.00  -0.00     0.01   0.02   0.01    -0.00  -0.00  -0.00
     9   1     0.36   0.11   0.06     0.15   0.76   0.04     0.05  -0.18   0.01
    10   1    -0.29  -0.17   0.71    -0.13   0.10  -0.16    -0.02  -0.07   0.20
    11   1     0.01  -0.02  -0.02    -0.01   0.01   0.01     0.01  -0.01  -0.01
    12   1     0.02   0.08   0.05     0.07   0.28   0.18    -0.01  -0.04  -0.02
    13   1    -0.04  -0.11  -0.01    -0.08  -0.24  -0.04     0.01   0.04   0.01
    14   1     0.03  -0.05  -0.01    -0.01   0.10  -0.19     0.04   0.11  -0.29
    15   1     0.03   0.09   0.20    -0.08  -0.05  -0.20    -0.14  -0.01  -0.24
    16   1     0.06   0.11   0.15     0.01  -0.09  -0.21     0.10  -0.05  -0.25
    17   1    -0.06   0.07  -0.05     0.03  -0.01   0.01     0.41  -0.05  -0.27
    18   1    -0.11  -0.15  -0.05     0.01   0.02   0.00     0.30   0.25  -0.27
    19   1    -0.16  -0.10   0.04     0.03   0.00  -0.00     0.40   0.12   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1425.3728              1487.7672              1495.4253
 Red. masses --      1.2457                 1.0409                 1.0504
 Frc consts  --      1.4912                 1.3574                 1.3840
 IR Inten    --      5.6415                 1.4044                 2.7627
 RamAct Fr= 1--      0.3811                 8.1488                 1.8247
  Dep-P Fr= 1--      0.6589                 0.7480                 0.7177
  Dep-U Fr= 1--      0.7944                 0.8559                 0.8357
 Alpha2 Fr= 1--      0.0006                 0.0003                 0.0010
 Beta2  Fr= 1--      0.0505                 1.1624                 0.2542
 AlphaG Fr= 1--      0.0004                 0.0026                 0.0027
 Gamma2 Fr= 1--     -0.2404                 0.0137                 0.1921
 Delta2 Fr= 1--      0.1893                -0.3699                 0.1123
 Raman1 Fr= 1--       1.524                 32.595                  7.299
 ROA1   Fr= 1--     -17.019                -10.516                 22.038
 CID1   Fr= 1--     -11.163                 -0.323                  3.019
 Raman2 Fr= 1--       0.606                 13.948                  3.050
 ROA2   Fr= 1--      -7.283                  3.289                  3.712
 CID2   Fr= 1--     -12.028                  0.236                  1.217
 Raman3 Fr= 1--       1.211                 27.897                  6.100
 ROA3   Fr= 1--     -17.019                -10.516                 22.038
 CID3   Fr= 1--     -14.053                 -0.377                  3.613
 RC180  Fr= 1--       0.589                  0.712                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.02   0.02    -0.01   0.04   0.01    -0.01  -0.00  -0.04
     2   6     0.01  -0.00   0.02    -0.00  -0.00   0.02     0.01  -0.01  -0.03
     3   6    -0.00  -0.05   0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.00  -0.11     0.01  -0.03  -0.00     0.03  -0.02   0.01
     7   7    -0.00   0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.03   0.22   0.00    -0.02   0.01   0.00     0.04  -0.04   0.00
    10   1    -0.08   0.05  -0.07     0.04   0.02  -0.08    -0.04  -0.02   0.04
    11   1    -0.01   0.02   0.02     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    12   1     0.03   0.07   0.03    -0.00   0.00   0.01    -0.00   0.01   0.02
    13   1    -0.02  -0.07  -0.01    -0.01  -0.01  -0.00    -0.01   0.01  -0.00
    14   1    -0.01  -0.19   0.41    -0.19  -0.05   0.22    -0.36   0.07   0.08
    15   1     0.19   0.05   0.38    -0.14   0.44  -0.03    -0.03   0.32   0.11
    16   1    -0.09   0.14   0.39     0.25   0.15  -0.19     0.03  -0.10  -0.21
    17   1     0.33  -0.08  -0.12    -0.21   0.02   0.20     0.34  -0.20   0.36
    18   1     0.22   0.23  -0.13     0.04  -0.17  -0.44     0.16   0.37   0.31
    19   1     0.29   0.08   0.00     0.28  -0.42   0.02    -0.34  -0.12  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.9898              1514.4094              1671.0791
 Red. masses --      1.0434                 1.0566                 1.0909
 Frc consts  --      1.3980                 1.4277                 1.7948
 IR Inten    --      9.4953                 7.1834                39.1632
 RamAct Fr= 1--      2.5872                 4.0156                 2.4589
  Dep-P Fr= 1--      0.7324                 0.7474                 0.5969
  Dep-U Fr= 1--      0.8455                 0.8554                 0.7476
 Alpha2 Fr= 1--      0.0008                 0.0002                 0.0070
 Beta2  Fr= 1--      0.3646                 0.5725                 0.3064
 AlphaG Fr= 1--      0.0047                -0.0008                -0.0132
 Gamma2 Fr= 1--     -0.1092                -0.6499                -0.1214
 Delta2 Fr= 1--      0.3342                -0.0971                 0.1976
 Raman1 Fr= 1--      10.349                 16.063                  9.836
 ROA1   Fr= 1--       0.208                -65.495                 -5.337
 CID1   Fr= 1--       0.020                 -4.078                 -0.543
 Raman2 Fr= 1--       4.375                  6.870                  3.676
 ROA2   Fr= 1--      -5.295                -14.820                 -4.495
 CID2   Fr= 1--      -1.210                 -2.157                 -1.223
 Raman3 Fr= 1--       8.751                 13.740                  7.353
 ROA3   Fr= 1--       0.208                -65.495                 -5.337
 CID3   Fr= 1--       0.024                 -4.767                 -0.726
 RC180  Fr= 1--       0.691                  0.711                  0.495
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.00    -0.00   0.02  -0.02    -0.00   0.00   0.00
     2   6    -0.01  -0.03   0.01    -0.04   0.02  -0.02    -0.01  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.01   0.00     0.03   0.01  -0.01
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.02  -0.03   0.00    -0.04   0.00   0.01    -0.00   0.00  -0.00
     7   7    -0.00   0.00   0.00    -0.00   0.01   0.00     0.02  -0.07  -0.03
     8   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   1     0.01   0.03  -0.00     0.01   0.01   0.00    -0.02  -0.05  -0.01
    10   1    -0.03  -0.00  -0.07     0.07  -0.02   0.02     0.02  -0.02   0.02
    11   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   1     0.01  -0.00  -0.02     0.01  -0.01  -0.03    -0.12   0.33   0.59
    13   1    -0.01  -0.02   0.00     0.01  -0.04   0.01    -0.33   0.61  -0.14
    14   1     0.18  -0.18   0.26     0.53  -0.14  -0.02     0.04  -0.03   0.02
    15   1    -0.22   0.32  -0.23    -0.07  -0.25  -0.27    -0.00  -0.01  -0.01
    16   1     0.41   0.37  -0.09     0.15   0.28   0.22     0.02   0.03   0.03
    17   1     0.07   0.05  -0.28     0.12  -0.13   0.40     0.00  -0.00  -0.00
    18   1    -0.10   0.00   0.27     0.17   0.20  -0.03     0.00   0.00  -0.00
    19   1    -0.13   0.38  -0.02    -0.11  -0.35   0.01    -0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1802.5796              3030.0382              3034.7536
 Red. masses --      9.8702                 1.0356                 1.0364
 Frc consts  --     18.8958                 5.6021                 5.6238
 IR Inten    --    262.6337                32.6318                16.2757
 RamAct Fr= 1--     12.9907                31.3451               297.6758
  Dep-P Fr= 1--      0.1914                 0.0552                 0.0089
  Dep-U Fr= 1--      0.3213                 0.1046                 0.0176
 Alpha2 Fr= 1--      0.1805                 0.6116                 6.4795
 Beta2  Fr= 1--      0.6956                 0.5464                 0.8711
 AlphaG Fr= 1--     -0.1142                 0.0795                -0.2344
 Gamma2 Fr= 1--      1.0597                -1.7387                 1.1314
 Delta2 Fr= 1--     -1.3817                -1.5023                 1.0495
 Raman1 Fr= 1--      51.963                125.380               1190.703
 ROA1   Fr= 1--      57.520               -214.991                142.196
 CID1   Fr= 1--       1.107                 -1.715                  0.119
 Raman2 Fr= 1--       8.347                  6.557                 10.454
 ROA2   Fr= 1--      36.487                -29.710                 18.757
 CID2   Fr= 1--       4.371                 -4.531                  1.794
 Raman3 Fr= 1--      16.695                 13.113                 20.907
 ROA3   Fr= 1--      57.520               -214.991                142.196
 CID3   Fr= 1--       3.445                -16.395                  6.801
 RC180  Fr= 1--      -0.357                 -0.791                 -0.965
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.02   0.00  -0.01     0.04   0.00  -0.02
     2   6    -0.01   0.02  -0.01     0.00   0.01   0.00    -0.00   0.00   0.00
     3   6    -0.04  -0.05  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.01
     4   6     0.30   0.60   0.25     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8    -0.02  -0.05  -0.02    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.01   0.00     0.00  -0.01  -0.04    -0.00   0.00   0.02
     7   7    -0.01  -0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   8    -0.16  -0.39  -0.18    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1     0.11   0.12   0.01    -0.00   0.00   0.02     0.01  -0.00  -0.08
    10   1     0.05   0.01   0.01    -0.02  -0.09  -0.03    -0.00  -0.02  -0.01
    11   1    -0.17   0.32   0.32     0.00   0.00   0.00     0.00   0.00  -0.00
    12   1    -0.01   0.01   0.02    -0.00   0.00   0.00     0.00   0.00  -0.00
    13   1    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.01   0.00  -0.00     0.15   0.51   0.19    -0.08  -0.26  -0.10
    15   1    -0.01   0.03  -0.00    -0.46  -0.14   0.20     0.26   0.08  -0.11
    16   1     0.01   0.01   0.01     0.29  -0.29   0.12    -0.15   0.15  -0.06
    17   1    -0.02  -0.00   0.01    -0.04  -0.20  -0.06    -0.09  -0.38  -0.11
    18   1     0.03   0.02  -0.01    -0.20   0.18  -0.10    -0.37   0.32  -0.18
    19   1    -0.00  -0.00   0.00     0.01   0.02   0.30     0.02   0.03   0.58
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3045.5919              3054.7955              3090.5210
 Red. masses --      1.0835                 1.0838                 1.1019
 Frc consts  --      5.9213                 5.9587                 6.2008
 IR Inten    --      2.1089                13.3465                24.9360
 RamAct Fr= 1--     68.0752               123.1801                64.8667
  Dep-P Fr= 1--      0.6282                 0.0853                 0.7450
  Dep-U Fr= 1--      0.7716                 0.1572                 0.8539
 Alpha2 Fr= 1--      0.1509                 2.2354                 0.0055
 Beta2  Fr= 1--      8.7547                 3.2267                 9.2316
 AlphaG Fr= 1--      0.0254                -0.0846                -0.0244
 Gamma2 Fr= 1--      6.0947                -8.6045                 5.6112
 Delta2 Fr= 1--      5.0438                -5.6027                 4.4137
 Raman1 Fr= 1--     272.301                492.720                259.467
 ROA1   Fr= 1--     746.489              -1005.316                679.909
 CID1   Fr= 1--       2.741                 -2.040                  2.620
 Raman2 Fr= 1--     105.056                 38.720                110.779
 ROA2   Fr= 1--     105.922               -161.686                 99.359
 CID2   Fr= 1--       1.008                 -4.176                  0.897
 Raman3 Fr= 1--     210.112                 77.440                221.559
 ROA3   Fr= 1--     746.489              -1005.316                679.909
 CID3   Fr= 1--       3.553                -12.982                  3.069
 RC180  Fr= 1--       0.543                 -0.686                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00     0.01   0.00   0.00    -0.04   0.02  -0.07
     2   6    -0.02  -0.07  -0.02    -0.01  -0.02  -0.01    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.03     0.01  -0.00  -0.08     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.01   0.02  -0.01     0.00   0.01   0.00     0.03   0.01  -0.00
     7   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1     0.03  -0.00  -0.33    -0.07   0.01   0.93    -0.00  -0.00   0.04
    10   1     0.21   0.83   0.29     0.07   0.29   0.10    -0.00  -0.01  -0.00
    11   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00   0.01     0.01   0.00  -0.02    -0.00   0.00   0.00
    14   1    -0.02  -0.08  -0.03    -0.02  -0.07  -0.03    -0.03  -0.14  -0.06
    15   1    -0.14  -0.03   0.06    -0.01  -0.00   0.01    -0.27  -0.08   0.12
    16   1     0.09  -0.08   0.04     0.03  -0.02   0.01    -0.10   0.11  -0.05
    17   1    -0.03  -0.13  -0.04    -0.02  -0.09  -0.02     0.01   0.08   0.00
    18   1     0.01  -0.01   0.01    -0.04   0.04  -0.02     0.46  -0.40   0.20
    19   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00     0.01   0.04   0.65
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3091.8408              3096.4634              3111.8500
 Red. masses --      1.1013                 1.1006                 1.1005
 Frc consts  --      6.2031                 6.2173                 6.2787
 IR Inten    --     26.0084                33.4869                26.3683
 RamAct Fr= 1--     36.8697                97.1389                48.1042
  Dep-P Fr= 1--      0.6149                 0.6109                 0.6980
  Dep-U Fr= 1--      0.7615                 0.7585                 0.8221
 Alpha2 Fr= 1--      0.0914                 0.2485                 0.0437
 Beta2  Fr= 1--      4.6795                12.2793                 6.5913
 AlphaG Fr= 1--     -0.1171                -0.0024                -0.0763
 Gamma2 Fr= 1--     -5.5158                 4.4029                -4.3389
 Delta2 Fr= 1--     -5.3674                 6.8340                -4.0322
 Raman1 Fr= 1--     147.479                388.555                192.417
 ROA1   Fr= 1--    -701.274                641.367               -545.567
 CID1   Fr= 1--      -4.755                  1.651                 -2.835
 Raman2 Fr= 1--      56.153                147.351                 79.095
 ROA2   Fr= 1--     -89.441                 50.997                -71.877
 CID2   Fr= 1--      -1.593                  0.346                 -0.909
 Raman3 Fr= 1--     112.307                294.703                158.191
 ROA3   Fr= 1--    -701.274                641.367               -545.567
 CID3   Fr= 1--      -6.244                  2.176                 -3.449
 RC180  Fr= 1--       0.523                  0.517                  0.644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.02    -0.01  -0.01  -0.02     0.00  -0.08  -0.03
     2   6    -0.00  -0.01  -0.01    -0.00   0.01   0.00    -0.00  -0.02  -0.01
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.05  -0.07   0.00    -0.07   0.05  -0.00     0.00  -0.01   0.00
     7   7     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.00   0.00   0.02     0.00   0.00  -0.01    -0.00  -0.00   0.02
    10   1     0.04   0.16   0.06    -0.01  -0.06  -0.02     0.04   0.17   0.06
    11   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   1    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1     0.17   0.62   0.25    -0.08  -0.22  -0.09     0.03   0.11   0.05
    15   1     0.53   0.14  -0.24     0.35   0.12  -0.16     0.02   0.00  -0.01
    16   1    -0.10   0.07  -0.04     0.57  -0.56   0.26    -0.08   0.07  -0.03
    17   1    -0.03  -0.10  -0.04     0.03   0.13   0.03     0.20   0.80   0.22
    18   1     0.19  -0.16   0.09     0.09  -0.08   0.04    -0.26   0.21  -0.13
    19   1     0.00   0.02   0.17     0.00   0.01   0.18     0.01  -0.00   0.27
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3509.3280              3579.3258              3721.8114
 Red. masses --      1.0491                 1.0927                 1.0640
 Frc consts  --      7.6125                 8.2483                 8.6839
 IR Inten    --      1.6404                 4.6526                63.6087
 RamAct Fr= 1--    114.0343                46.6578               156.1730
  Dep-P Fr= 1--      0.1119                 0.6822                 0.2301
  Dep-U Fr= 1--      0.2013                 0.8111                 0.3741
 Alpha2 Fr= 1--      1.9390                 0.0558                 1.9559
 Beta2  Fr= 1--      3.8257                 6.3070                 9.7366
 AlphaG Fr= 1--      0.8002                 0.2206                 0.0609
 Gamma2 Fr= 1--      2.3816                 2.2702                 2.7681
 Delta2 Fr= 1--     -0.4141                 0.9567                -1.4179
 Raman1 Fr= 1--     456.137                186.631                624.692
 ROA1   Fr= 1--     215.381                248.559                220.365
 CID1   Fr= 1--       0.472                  1.332                  0.353
 Raman2 Fr= 1--      45.909                 75.684                116.840
 ROA2   Fr= 1--      60.471                 46.832                 77.777
 CID2   Fr= 1--       1.317                  0.619                  0.666
 Raman3 Fr= 1--      91.818                151.368                233.679
 ROA3   Fr= 1--     215.381                248.559                220.365
 CID3   Fr= 1--       2.346                  1.642                  0.943
 RC180  Fr= 1--      -0.597                  0.622                 -0.252
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.05  -0.03   0.01
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   7     0.04  -0.04  -0.02    -0.02   0.03  -0.07     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   1    -0.00  -0.00   0.01    -0.00   0.00   0.02    -0.00   0.00   0.00
    10   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    11   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.85   0.50  -0.16
    12   1    -0.42   0.44  -0.38     0.43  -0.43   0.34     0.00  -0.00   0.00
    13   1    -0.11   0.06   0.69    -0.14   0.07   0.69     0.00  -0.00  -0.00
    14   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   603.543841265.765451368.64540
           X            0.99960  -0.02748  -0.00642
           Y            0.02671   0.99479  -0.09838
           Z            0.00909   0.09817   0.99513
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14351     0.06843     0.06328
 Rotational constants (GHZ):           2.99024     1.42581     1.31863
 Zero-point vibrational energy     431372.7 (Joules/Mol)
                                  103.10056 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     56.45   110.16   255.98   306.35   316.84
          (Kelvin)            378.18   382.36   424.57   481.21   568.57
                              669.74   820.76   877.91   938.29  1036.23
                             1182.66  1200.17  1296.98  1351.76  1367.87
                             1402.26  1534.41  1571.88  1670.07  1688.43
                             1740.63  1770.64  1865.85  1935.87  1969.45
                             1979.49  2018.31  2020.55  2050.79  2140.57
                             2151.58  2169.66  2178.90  2404.31  2593.51
                             4359.55  4366.33  4381.93  4395.17  4446.57
                             4448.47  4455.12  4477.26  5049.14  5149.85
                             5354.86
 
 Zero-point correction=                           0.164301 (Hartree/Particle)
 Thermal correction to Energy=                    0.173844
 Thermal correction to Enthalpy=                  0.174788
 Thermal correction to Gibbs Free Energy=         0.129724
 Sum of electronic and zero-point Energies=           -402.405090
 Sum of electronic and thermal Energies=              -402.395547
 Sum of electronic and thermal Enthalpies=            -402.394603
 Sum of electronic and thermal Free Energies=         -402.439667
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.089             34.416             94.845
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.438
 Vibrational            107.311             28.455             26.219
 Vibration     1          0.594              1.981              5.297
 Vibration     2          0.599              1.965              3.977
 Vibration     3          0.628              1.870              2.350
 Vibration     4          0.644              1.821              2.018
 Vibration     5          0.647              1.810              1.957
 Vibration     6          0.670              1.741              1.643
 Vibration     7          0.672              1.736              1.624
 Vibration     8          0.689              1.683              1.445
 Vibration     9          0.716              1.607              1.238
 Vibration    10          0.762              1.480              0.981
 Vibration    11          0.823              1.327              0.750
 Vibration    12          0.927              1.095              0.503
 Vibration    13          0.969              1.010              0.432
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.214403D-59        -59.668770       -137.392420
 Total V=0       0.802542D+16         15.904468         36.621391
 Vib (Bot)       0.117635D-72        -72.929464       -167.926297
 Vib (Bot)    1  0.527386D+01          0.722128          1.662762
 Vib (Bot)    2  0.269118D+01          0.429943          0.989979
 Vib (Bot)    3  0.112972D+01          0.052970          0.121969
 Vib (Bot)    4  0.931708D+00         -0.030720         -0.070736
 Vib (Bot)    5  0.898162D+00         -0.046645         -0.107404
 Vib (Bot)    6  0.737907D+00         -0.131998         -0.303937
 Vib (Bot)    7  0.728779D+00         -0.137404         -0.316385
 Vib (Bot)    8  0.646244D+00         -0.189603         -0.436578
 Vib (Bot)    9  0.557114D+00         -0.254056         -0.584985
 Vib (Bot)   10  0.452613D+00         -0.344273         -0.792717
 Vib (Bot)   11  0.363727D+00         -0.439225         -1.011353
 Vib (Bot)   12  0.269669D+00         -0.569169         -1.310561
 Vib (Bot)   13  0.242151D+00         -0.615913         -1.418193
 Vib (V=0)       0.440325D+03          2.643774          6.087514
 Vib (V=0)    1  0.579751D+01          0.763241          1.757428
 Vib (V=0)    2  0.323723D+01          0.510174          1.174719
 Vib (V=0)    3  0.173542D+01          0.239405          0.551250
 Vib (V=0)    4  0.155739D+01          0.192398          0.443013
 Vib (V=0)    5  0.152796D+01          0.184111          0.423932
 Vib (V=0)    6  0.139135D+01          0.143437          0.330275
 Vib (V=0)    7  0.138381D+01          0.141076          0.324840
 Vib (V=0)    8  0.131709D+01          0.119615          0.275423
 Vib (V=0)    9  0.124858D+01          0.096417          0.222009
 Vib (V=0)   10  0.117443D+01          0.069828          0.160785
 Vib (V=0)   11  0.111830D+01          0.048559          0.111811
 Vib (V=0)   12  0.106809D+01          0.028606          0.065868
 Vib (V=0)   13  0.105555D+01          0.023479          0.054063
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.366035D+06          5.563522         12.810483
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    3  3        33333333                                         1   1  11111111111 1111 11                                    
     7    5  5        10000000                                         8   6  55444443332 2211 00 999 988   7 6 65   4 33222221      
     2    7  0        19995433                                         0   7  10982007649 3176 96 754 032   2 5 17   6 93966217   73 
     2    9  9        26215650                                         3   1  48585436957 1041 36 510 142   0 2 00   5 54563038   79 
 
     X    X  X        XXXXXXXX                                         X   X  XXXXXXXXXXX XXXX XX XXX XXX   X X XX   X XXXXXXXX   XX 
     X                XXXX   X                                         X   X           X    XX XX     X X   X X XX          X        
     X                 X                                               X   X                XX  X     X X   X X  X                   
     X                                                                 X                    XX        X X     X                      
     X                                                                 X                    XX        X X     X                      
                                                                       X                     X          X                            
                                                                       X                     X          X                            
                                                                       X                     X          X                            
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004353   -0.000000775    0.000006121
      2        6           0.000001141   -0.000003593   -0.000010850
      3        6           0.000005646    0.000003927   -0.000003901
      4        6          -0.000003124   -0.000009459    0.000002167
      5        8          -0.000001229    0.000001383   -0.000001055
      6        6          -0.000001475    0.000005482    0.000008125
      7        7          -0.000003520   -0.000002487    0.000009030
      8        8           0.000002374    0.000002955    0.000003342
      9        1          -0.000003391   -0.000000920   -0.000000224
     10        1           0.000000357   -0.000000377    0.000002720
     11        1           0.000002534    0.000002806   -0.000000496
     12        1           0.000005099   -0.000001615   -0.000004840
     13        1          -0.000003127    0.000001173   -0.000005244
     14        1          -0.000000708    0.000000919   -0.000001633
     15        1           0.000000638   -0.000000524   -0.000001797
     16        1           0.000000884    0.000001280    0.000000263
     17        1           0.000001889   -0.000001151   -0.000001990
     18        1          -0.000000504   -0.000002128    0.000000637
     19        1           0.000000871    0.000003104   -0.000000374
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010850 RMS     0.000003613
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.908008D+02  0.107535D+01 -0.275879D+01
      2   0.107535D+01  0.782798D+02  0.186960D+01
      3  -0.275879D+01  0.186960D+01  0.758446D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.906329D+00 -0.130165D+01  0.150719D+01
      2   0.735387D+01 -0.758628D+01  0.340297D+02
      3   0.578152D+01 -0.257540D+02  0.881085D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.692460D+02 -0.206509D+02  0.521943D+01
      2  -0.379534D+02  0.238310D+02 -0.117333D+02
      3  -0.312926D+02 -0.318003D+01  0.651391D+01
      4  -0.218946D+02  0.415842D+02 -0.194270D+02
      5   0.120190D+02 -0.225166D+02  0.654689D+02
      6  -0.546197D+01  0.790168D+00 -0.937072D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.146744D-01  0.310395D+01 -0.354252D+01  0.517474D+01 -0.379574D+01
      2   0.310395D+01 -0.290091D+01  0.104585D+00 -0.379574D+01 -0.325493D+01
      3  -0.354252D+01  0.104585D+00  0.901959D+00 -0.704581D-01 -0.211098D+01
                 6             7             8             9            10 
      1  -0.704581D-01 -0.500652D+01  0.434883D+00 -0.745541D+00  0.195218D+01
      2  -0.211098D+01  0.434883D+00 -0.214320D+01  0.154364D+00 -0.257969D+01
      3   0.637234D+00 -0.745541D+00  0.154364D+00  0.804538D+01  0.446594D+01
                11            12            13            14            15 
      1  -0.257969D+01  0.446594D+01 -0.726942D+01  0.296134D+01  0.285627D+00
      2   0.347075D+01  0.282770D+00  0.296134D+01  0.438569D+01  0.291034D+01
      3   0.282770D+00 -0.609236D+00  0.285627D+00  0.291034D+01  0.407297D+00
                16            17            18            19            20 
      1   0.646697D+01  0.195880D+00  0.463779D-01 -0.200939D+01  0.392843D+01
      2   0.195880D+00  0.290927D+01  0.134971D+01  0.392843D+01 -0.788405D+00
      3   0.463779D-01  0.134971D+01 -0.616751D+01 -0.280247D+01  0.354834D-01
                21            22            23            24            25 
      1  -0.280247D+01  0.759320D+01 -0.343478D+00 -0.237087D+00 -0.274130D+01
      2   0.354834D-01 -0.343478D+00 -0.150945D+01 -0.135406D+01  0.680745D-01
      3  -0.378217D+00 -0.237087D+00 -0.135406D+01  0.146727D+01 -0.667478D+00
                26            27            28            29            30 
      1   0.680745D-01 -0.667478D+00 -0.301944D+01 -0.204084D+01  0.174677D+01
      2  -0.162775D+01  0.774035D-01 -0.204084D+01  0.576443D+00  0.189935D+01
      3   0.774035D-01  0.655628D+01  0.174677D+01  0.189935D+01  0.172639D+00
                31            32            33            34            35 
      1   0.263545D+01  0.138119D+01  0.181512D+01  0.222579D+01  0.270366D+01
      2   0.138119D+01  0.303597D+01  0.178680D+01  0.270366D+01  0.262015D+01
      3   0.181512D+01  0.178680D+01  0.839150D+00  0.341095D+00 -0.700097D-01
                36            37            38            39            40 
      1   0.341095D+00  0.587120D+01  0.330296D+01 -0.129423D+01  0.484398D+01
      2  -0.700097D-01  0.330296D+01  0.240590D+00 -0.917168D+00 -0.975668D+00
      3   0.191505D-02 -0.129423D+01 -0.917168D+00  0.908027D+00 -0.168427D+01
                41            42            43            44            45 
      1  -0.975668D+00 -0.168427D+01 -0.543747D+00 -0.150317D+01 -0.464047D+00
      2   0.307002D+01  0.807468D+00 -0.150317D+01  0.215348D+00  0.139305D+01
      3   0.807468D+00  0.151147D+01 -0.464047D+00  0.139305D+01  0.265467D+01
                46            47            48            49            50 
      1   0.147585D+01  0.361445D+01 -0.487528D+01  0.393514D+01 -0.337873D+01
      2   0.361445D+01 -0.321255D+01  0.134733D+00 -0.337873D+01 -0.190406D+01
      3  -0.487528D+01  0.134733D+00  0.565665D+00  0.107388D+00 -0.392755D+01
                51            52            53            54            55 
      1   0.107388D+00 -0.362562D+01 -0.107895D+00  0.333436D+00  0.261091D+01
      2  -0.392755D+01 -0.107895D+00 -0.289760D+01 -0.725021D+00 -0.200982D+01
      3   0.253592D+00  0.333436D+00 -0.725021D+00  0.404972D+01  0.121314D+01
                56            57            58            59            60 
      1  -0.200982D+01  0.121314D+01 -0.147351D+01  0.334891D+01 -0.669758D+00
      2   0.374452D+01 -0.796048D+00  0.334891D+01  0.242890D+01  0.121425D+01
      3  -0.796048D+00  0.202811D+01 -0.669758D+00  0.121425D+01 -0.119082D+01
                61            62            63            64            65 
      1   0.150294D+01 -0.104093D+01  0.239068D+01 -0.293418D+01 -0.295358D+01
      2  -0.104093D+01  0.144467D+01 -0.729087D+00 -0.295358D+01 -0.248222D+01
      3   0.239068D+01 -0.729087D+00 -0.365835D+01 -0.201302D+01 -0.140938D+01
                66            67            68            69            70 
      1  -0.201302D+01 -0.601932D+01 -0.315561D+01 -0.123068D+01 -0.307255D+01
      2  -0.140938D+01 -0.315561D+01 -0.932455D+01 -0.279148D+01 -0.149474D+01
      3  -0.115193D+01 -0.123068D+01 -0.279148D+01 -0.270724D+01 -0.186039D+01
                71            72            73            74            75 
      1  -0.149474D+01 -0.186039D+01  0.500656D+00 -0.385985D+00 -0.830947D+00
      2  -0.272972D+01 -0.286705D+01 -0.385985D+00  0.249222D+00 -0.117712D+00
      3  -0.286705D+01 -0.380495D+01 -0.830947D+00 -0.117712D+00  0.303011D+00
                76            77            78            79            80 
      1  -0.116006D+01  0.153911D+00  0.381112D-02 -0.145225D+01 -0.999436D-01
      2   0.153911D+00  0.575534D+00 -0.107698D+01 -0.999436D-01 -0.140561D+01
      3   0.381112D-02 -0.107698D+01 -0.600365D-01  0.189860D+00  0.500690D+00
                81            82            83            84            85 
      1   0.189860D+00 -0.127352D+01 -0.759499D+00 -0.992130D+00 -0.106854D+01
      2   0.500690D+00 -0.759499D+00 -0.106517D+01 -0.231848D-01 -0.920397D+00
      3  -0.878650D+01 -0.992130D+00 -0.231848D-01 -0.264621D+00 -0.987594D-01
                86            87            88            89            90 
      1  -0.920397D+00 -0.987594D-01 -0.147254D+01 -0.120519D+00 -0.954058D-01
      2  -0.702935D+01 -0.173715D+01 -0.120519D+00 -0.176991D+01 -0.152888D+01
      3  -0.173715D+01 -0.184765D+01 -0.954058D-01 -0.152888D+01 -0.566106D+00
                91            92            93            94            95 
      1  -0.981500D+01 -0.997248D+00  0.293648D+01 -0.419659D+01 -0.160055D+01
      2  -0.997248D+00 -0.147154D+01  0.130363D+00 -0.160055D+01 -0.675770D+00
      3   0.293648D+01  0.130363D+00 -0.198280D+01  0.145693D+01  0.587098D+00
                96            97            98            99           100 
      1   0.145693D+01  0.199004D+01  0.299211D+00 -0.159379D+01 -0.168939D+01
      2   0.587098D+00  0.299211D+00  0.521748D+00 -0.814496D-01  0.264397D+01
      3  -0.913683D+00 -0.159379D+01 -0.814496D-01  0.144781D+01 -0.110532D+01
               101           102           103           104           105 
      1   0.264397D+01 -0.110532D+01  0.243466D+01 -0.292344D+01  0.102141D+01
      2  -0.331015D+01  0.119888D+01 -0.292344D+01  0.539759D+01 -0.155350D+01
      3   0.119888D+01 -0.106955D+01  0.102141D+01 -0.155350D+01  0.129939D+01
               106           107           108           109           110 
      1  -0.190497D+01  0.162266D+01 -0.127167D+01 -0.416940D-01  0.607502D+00
      2   0.162266D+01 -0.273000D+01  0.172144D+01  0.607502D+00 -0.116254D+00
      3  -0.127167D+01  0.172144D+01 -0.153397D+01  0.193223D+00 -0.353600D+00
               111           112           113           114           115 
      1   0.193223D+00  0.400363D+00 -0.118747D+00 -0.397105D+00  0.101938D+01
      2  -0.353600D+00 -0.118747D+00  0.116958D+01  0.910157D+00 -0.562001D+00
      3  -0.678753D+00 -0.397105D+00  0.910157D+00  0.874611D+00 -0.766349D+00
               116           117           118           119           120 
      1  -0.562001D+00 -0.766349D+00  0.944844D+00  0.636295D+00  0.120747D+01
      2   0.222290D+01  0.143196D+01  0.636295D+00  0.138037D+01  0.528643D+00
      3   0.143196D+01  0.543600D+01  0.120747D+01  0.528643D+00  0.102348D+01
               121           122           123           124           125 
      1   0.127155D+01  0.121984D+01  0.896281D+00  0.941292D+00  0.405836D+00
      2   0.121984D+01  0.468215D+01  0.225413D+01  0.405836D+00  0.178728D+01
      3   0.896281D+00  0.225413D+01  0.312681D+01  0.590844D+00  0.152735D+01
               126           127           128           129           130 
      1   0.590844D+00 -0.537889D+01 -0.140434D+01  0.251744D+01 -0.145980D+01
      2   0.152735D+01 -0.140434D+01 -0.109415D+01  0.991751D+00 -0.643815D+00
      3   0.206357D+01  0.251744D+01  0.991751D+00 -0.339407D+01  0.620641D+00
               131           132           133           134           135 
      1  -0.643815D+00  0.620641D+00  0.193316D+01  0.538121D+00 -0.185222D+01
      2  -0.967541D+00  0.132131D+01  0.538121D+00  0.948209D+00 -0.731011D+00
      3   0.132131D+01 -0.112243D+01 -0.185222D+01 -0.731011D+00  0.244875D+01
               136           137           138           139           140 
      1   0.398873D+01 -0.270355D+01  0.254444D+01 -0.295383D+01  0.269457D+01
      2  -0.270355D+01  0.265346D+01 -0.144315D+01  0.269457D+01 -0.352723D+01
      3   0.254444D+01 -0.144315D+01  0.234423D+01 -0.147805D+01  0.238984D+01
               141           142           143           144           145 
      1  -0.147805D+01  0.140043D+01 -0.939571D+00  0.150099D+01  0.154416D+01
      2   0.238984D+01 -0.939571D+00  0.152539D+01 -0.139639D+01  0.124581D+01
      3  -0.228217D+01  0.150099D+01 -0.139639D+01  0.179546D+01  0.435035D+00
               146           147           148           149           150 
      1   0.124581D+01  0.435035D+00  0.294379D+01  0.229633D+01 -0.154094D+00
      2   0.166331D+01  0.697130D-01  0.229633D+01  0.579125D+01  0.646686D+00
      3   0.697130D-01  0.285343D+00 -0.154094D+00  0.646686D+00  0.130262D+01
               151           152           153           154           155 
      1   0.130778D+01  0.345795D+00  0.547225D+00  0.698434D+01 -0.299354D+01
      2   0.345795D+00  0.119893D+01  0.825034D+00 -0.299354D+01  0.223511D+01
      3   0.547225D+00  0.825034D+00 -0.179489D+00  0.955310D+00 -0.379767D+00
               156           157           158           159           160 
      1   0.955310D+00 -0.506767D+01  0.309886D+01 -0.253354D+00  0.306625D+01
      2  -0.379767D+00  0.309886D+01 -0.247518D+01  0.635227D+00 -0.771613D+00
      3   0.975186D+00 -0.253354D+00  0.635227D+00 -0.113240D+01  0.118344D+01
               161           162           163           164           165 
      1  -0.771613D+00  0.118344D+01  0.303313D+00 -0.255278D+00 -0.759326D+00
      2   0.990160D+00 -0.747625D+00 -0.255278D+00  0.227564D+00  0.637369D-01
      3  -0.747625D+00  0.146047D+00 -0.759326D+00  0.637369D-01  0.215275D-01
               166           167           168           169           170 
      1  -0.564122D+00  0.701211D+00  0.664071D-01 -0.203452D+01  0.262537D-01
      2   0.701211D+00  0.131375D+00 -0.911618D+00  0.262537D-01 -0.108026D+01
      3   0.664071D-01 -0.911618D+00 -0.463016D+00  0.219294D+01 -0.104477D+00
               171 
      1   0.219294D+01
      2  -0.104477D+00
      3  -0.994874D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.282117D+01  0.237632D+01  0.207182D+00  0.353235D+01  0.235991D+01
      2  -0.990100D+01  0.308685D+01  0.570557D+00  0.442971D+01 -0.898493D+01
      3  -0.819808D+01  0.588781D+01  0.665224D+00  0.141257D+02  0.113085D+02
                 6             7             8             9            10 
      1  -0.383569D+00  0.785470D+00  0.313341D+01 -0.435684D+00  0.378639D+01
      2   0.120344D+01 -0.100898D+02  0.732626D+00  0.233141D+02  0.903258D+01
      3   0.508569D+01 -0.143354D+01  0.622567D+01 -0.115234D+01  0.354856D+01
                11            12            13            14            15 
      1  -0.433016D+00 -0.518805D-01 -0.718296D+00  0.340500D+01 -0.418173D+01
      2  -0.683343D+00  0.420347D+01 -0.513222D+01  0.386245D+01  0.183135D+00
      3  -0.407421D+01 -0.155805D+01  0.121005D+01 -0.101439D+02 -0.461067D+01
                16            17            18            19            20 
      1  -0.513613D+00  0.236017D+01 -0.300320D+01 -0.512398D+01  0.237778D+00
      2  -0.171467D+01  0.152080D+01 -0.681943D+01  0.852041D+00  0.812115D+00
      3  -0.739243D+00 -0.375323D+01 -0.233551D+00 -0.150657D+01 -0.434595D+01
                21            22            23            24            25 
      1  -0.903294D+00 -0.177556D+01  0.155216D+01  0.323677D+01  0.648587D-01
      2  -0.780447D+00  0.895667D+01  0.220749D-02  0.713079D+00 -0.738255D+01
      3   0.195527D+01 -0.685136D+00 -0.252900D+00  0.361888D+01 -0.117339D+01
                26            27            28            29            30 
      1   0.553888D+01 -0.211978D+01  0.178815D+01  0.346413D+00  0.192275D+01
      2  -0.581434D+00 -0.238570D+01 -0.116669D+02 -0.197241D+01 -0.202042D+01
      3   0.142273D+01  0.166635D+00 -0.477886D+01  0.257393D+01 -0.168866D+01
                31            32            33            34            35 
      1   0.275088D+01 -0.651339D+01  0.911525D+00 -0.348564D+01  0.140479D+01
      2   0.995487D+01 -0.102147D+01 -0.523639D+01 -0.119321D+02 -0.298488D+01
      3   0.581782D+01  0.107240D+02 -0.196792D+00 -0.681583D+01 -0.308544D+01
                36            37            38            39            40 
      1   0.873990D+01  0.397322D+00  0.263208D+00  0.206198D+01  0.222360D+01
      2   0.408529D+01  0.290081D+01  0.262566D+00  0.119204D+01 -0.791003D+00
      3   0.189663D+01  0.548222D+01 -0.107835D+01 -0.447506D+00  0.470074D+01
                41            42            43            44            45 
      1   0.277978D+01 -0.278711D+01  0.151342D+01  0.350928D+01 -0.196977D+01
      2  -0.389454D+01 -0.310567D+01 -0.178312D+01 -0.307239D+01 -0.701562D+01
      3   0.928671D+01  0.140847D+01  0.297996D+01  0.215015D+01  0.176822D+01
                46            47            48            49            50 
      1   0.366264D+01 -0.632277D+01  0.927936D+00 -0.639377D+01 -0.638417D+01
      2  -0.113622D+02 -0.714348D+01  0.135945D+02 -0.542628D+01  0.616389D+00
      3  -0.658458D+01 -0.132069D+00  0.296892D+01  0.388661D+01  0.534961D+01
                51            52            53            54            55 
      1  -0.116288D+02  0.410491D-01 -0.491350D+01  0.284415D+01 -0.167432D+01
      2  -0.185699D+00  0.611109D+01 -0.656109D+00  0.362361D+01  0.104058D+01
      3   0.498964D+01  0.270414D+01  0.370779D+01  0.561507D+00  0.730537D+01
                56            57            58            59            60 
      1   0.137969D+01 -0.619252D+01  0.146464D+01 -0.504013D+01 -0.385532D+01
      2   0.177282D+01  0.466664D+01 -0.220302D+01 -0.106621D+00  0.567160D+00
      3  -0.117712D+02  0.143434D+01  0.408774D+01  0.860831D+01 -0.387046D+01
                61            62            63            64            65 
      1  -0.432029D+01  0.725348D+01  0.951454D+01  0.164996D+01  0.273042D+01
      2  -0.864558D+00  0.360670D+00 -0.599334D+00  0.990452D+00  0.105822D+01
      3   0.394970D+01 -0.227585D+01  0.604765D+01  0.133992D+01 -0.556618D+01
                66            67            68            69            70 
      1  -0.348261D+01  0.293869D-01  0.521218D+01 -0.748337D+01  0.116481D+01
      2   0.583651D+01 -0.917770D+01  0.268257D+01  0.599633D+01 -0.343265D-01
      3  -0.109753D+01  0.408606D+01 -0.158816D+02 -0.314128D+01  0.867277D+00
                71            72            73            74            75 
      1   0.411153D+01 -0.329064D+01  0.743145D+00 -0.374221D+00 -0.312388D-01
      2   0.590372D+01  0.419843D+01  0.941883D+00 -0.309003D+00  0.341695D+00
      3  -0.172399D+01 -0.449815D+01  0.112955D+01 -0.413513D+00 -0.806295D+00
                76            77            78            79            80 
      1   0.833295D-01 -0.791873D+00 -0.339285D+00  0.103309D+00  0.359831D+01
      2  -0.969758D+00  0.502894D+00  0.302115D-01 -0.384054D+01  0.871866D-01
      3   0.138369D+01  0.264630D-01 -0.638019D+00 -0.327436D+00 -0.496244D+00
                81            82            83            84            85 
      1   0.177346D+01 -0.148670D+01  0.185039D+00 -0.585800D+00 -0.200127D+00
      2   0.980455D+00 -0.221999D+01 -0.364649D+00  0.140955D-01 -0.929635D+00
      3  -0.134016D+00  0.338530D+01  0.112861D+01  0.102025D+01  0.569338D+01
                86            87            88            89            90 
      1   0.765921D-01 -0.375943D+01 -0.214193D+00  0.415006D+00 -0.467322D+00
      2  -0.191070D+01 -0.177319D+01 -0.237342D+01 -0.168267D+01 -0.605328D+00
      3   0.857687D+01  0.239700D+01  0.228298D+01  0.219799D+01  0.195986D+01
                91            92            93            94            95 
      1  -0.134793D+01 -0.166897D+01 -0.113649D-01 -0.425638D+00 -0.113879D+01
      2  -0.209585D+01  0.574830D+00  0.514625D+01 -0.192833D+01 -0.493534D+00
      3  -0.369513D+01 -0.558480D+01  0.861284D+00 -0.257488D+01 -0.346072D+01
                96            97            98            99           100 
      1  -0.505124D+00  0.838733D+00  0.615054D+00 -0.378467D+00  0.148431D+01
      2   0.287069D+01  0.131068D+01  0.280591D+00 -0.236586D+01 -0.124054D+01
      3   0.755405D+00  0.188637D+01  0.180514D+01 -0.740130D+00 -0.572628D+01
               101           102           103           104           105 
      1  -0.194295D+01  0.345658D+01 -0.166278D+01  0.141553D+01 -0.354159D+01
      2   0.580325D+00  0.586841D+00  0.826482D+00 -0.567219D+00 -0.501347D+00
      3   0.468737D+01 -0.273336D+01  0.857307D+01 -0.678981D+01  0.324436D+01
               106           107           108           109           110 
      1   0.214332D+01 -0.155697D+01  0.249308D+01 -0.560406D+00  0.882926D+00
      2  -0.161933D+01  0.235658D+00 -0.592308D-02  0.748214D+00  0.126888D+00
      3  -0.524197D+01  0.412027D+01 -0.347724D+01 -0.456407D+00  0.182075D+00
               111           112           113           114           115 
      1   0.200674D+01  0.116884D+01 -0.235568D+01 -0.238772D+01  0.182534D+01
      2  -0.401811D+00  0.610923D-01 -0.110775D+00  0.454042D+00 -0.292029D+01
      3   0.670219D+00  0.105099D+01 -0.549863D+00 -0.120173D+01  0.313360D+01
               116           117           118           119           120 
      1  -0.164333D+01 -0.150140D+02  0.175545D+01  0.309771D+01  0.107604D+01
      2   0.456050D+00  0.981646D+00  0.290903D+00 -0.361852D+00  0.594448D+00
      3  -0.134080D+01 -0.261790D+01 -0.472716D+00 -0.286440D+01 -0.116246D+01
               121           122           123           124           125 
      1   0.231637D+01  0.129298D+02  0.355346D+01  0.137418D+01  0.590832D+01
      2  -0.239202D+01  0.110324D+01  0.334980D+01 -0.219794D+01  0.105395D+01
      3   0.817349D-01 -0.793914D+01 -0.287628D+01 -0.493030D+00 -0.245014D+01
               126           127           128           129           130 
      1   0.355363D+01 -0.581059D+00 -0.236428D+01 -0.147714D+01 -0.878804D+00
      2   0.161578D+01  0.166300D+02  0.362200D+01 -0.585926D+01  0.372970D+01
      3  -0.222589D+01  0.659332D+01  0.307533D+00 -0.251342D+01  0.301875D+01
               131           132           133           134           135 
      1  -0.515517D+00  0.499122D+00 -0.421447D+00  0.253169D+01  0.505143D+00
      2   0.249214D+01 -0.179529D+01 -0.794423D+01 -0.190055D+01  0.506203D+01
      3   0.939278D+00 -0.175328D+01 -0.224778D+01 -0.457371D+00  0.208271D+01
               136           137           138           139           140 
      1  -0.289640D+01  0.478377D+01  0.364630D+00  0.360740D+01 -0.472461D+01
      2  -0.396140D+01  0.262133D+01  0.143222D+01  0.412815D+01 -0.129488D+01
      3   0.824437D-02 -0.329465D+01  0.447603D+00  0.415128D+00  0.343997D+01
               141           142           143           144           145 
      1   0.344973D+00 -0.880808D+00  0.300020D+01 -0.726158D+00 -0.107347D+01
      2  -0.156792D+01 -0.280760D+01  0.142881D+00  0.289007D+00  0.246497D+01
      3  -0.210707D+01 -0.563423D+00 -0.187202D+01  0.735404D+00 -0.412039D+01
               146           147           148           149           150 
      1  -0.150549D+01 -0.740402D+00 -0.144310D+01 -0.446920D+01 -0.289534D+01
      2   0.117753D+01  0.186434D+01  0.124336D+01  0.433282D+01  0.468014D+01
      3  -0.522114D+01 -0.107418D+00 -0.285041D+01 -0.190978D+02 -0.250004D+01
               151           152           153           154           155 
      1  -0.448019D+00  0.170570D-01 -0.859175D+00  0.227617D+01 -0.152127D+01
      2   0.758962D+00  0.242870D+01  0.306287D+00  0.749570D+01 -0.374906D+01
      3  -0.243574D+00 -0.408194D+01 -0.208485D+01  0.545203D+01 -0.827892D+01
               156           157           158           159           160 
      1   0.151080D+01 -0.191933D+01  0.159398D+01 -0.238557D+01  0.741074D+00
      2   0.610284D+01 -0.404001D+01  0.419020D+01 -0.478844D+01  0.400234D+01
      3   0.112758D+01 -0.589385D+01  0.714765D+01 -0.189540D+01  0.117390D+01
               161           162           163           164           165 
      1  -0.143074D+00  0.951584D+00  0.219078D-01 -0.150309D+00 -0.583973D-01
      2  -0.260409D+01  0.187297D+01 -0.231966D+01 -0.176674D+00  0.837765D+00
      3  -0.338593D+01  0.182980D+01  0.756811D+00 -0.128082D+01  0.287811D-01
               166           167           168           169           170 
      1  -0.379908D+00 -0.326597D+00 -0.334121D+00  0.226112D+00  0.399855D+01
      2  -0.340052D+00 -0.140023D+01 -0.109407D+01 -0.781222D-01 -0.257948D+00
      3  -0.727682D+00 -0.754241D+00  0.191204D+01  0.301294D+00  0.329322D+01
               171 
      1  -0.117603D+01
      2  -0.251529D+02
      3   0.115657D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.100626D+01  0.183517D+02 -0.199652D+02  0.226661D+02 -0.232385D+02
      2  -0.538364D+01 -0.746505D+01  0.870260D+01 -0.107981D+02  0.632856D+01
      3   0.638991D+01 -0.108866D+02  0.112626D+02 -0.118680D+02  0.169099D+02
      4   0.224444D+02 -0.185392D+02  0.250923D+01 -0.283599D+02 -0.158121D+02
      5  -0.202858D+02 -0.801854D+00  0.512717D+01 -0.185477D+01 -0.904471D+01
      6  -0.705631D+00  0.208175D+01 -0.367172D+00  0.191890D+01  0.415214D+01
                 6             7             8             9            10 
      1   0.605955D+00 -0.238353D+02  0.268284D+01  0.999583D+01 -0.109888D+02
      2   0.407187D+00  0.747269D+01 -0.555319D+00  0.110021D+02  0.106973D+01
      3  -0.101314D+01  0.163626D+02 -0.212752D+01 -0.209980D+02  0.991904D+01
      4  -0.104328D+02  0.521984D+01 -0.125879D+02  0.321340D+01 -0.850094D+01
      5   0.129396D+01 -0.130899D+00  0.165260D+01  0.354027D+02  0.144051D+02
      6   0.146906D+01  0.929453D+00  0.164927D+01 -0.578323D+01 -0.586232D+01
                11            12            13            14            15 
      1  -0.608680D+01  0.126109D+02 -0.767827D+01  0.158162D+02  0.380706D+01
      2   0.203654D+01 -0.902625D+01  0.322718D+01 -0.190777D+02 -0.745338D+01
      3   0.405025D+01 -0.358461D+01  0.445109D+01  0.326150D+01  0.364632D+01
      4   0.676829D+01 -0.267599D+01  0.190490D+02  0.646021D+01  0.613100D+01
      5   0.845250D+00 -0.971671D+00  0.288097D+01  0.634908D+01  0.185186D+01
      6   0.345408D+00  0.391131D+00  0.137284D+01 -0.888183D+01  0.348240D+01
                16            17            18            19            20 
      1   0.174624D+02  0.265180D+01  0.542876D+01 -0.182096D+02 -0.332598D+01
      2  -0.809018D+01 -0.304858D+01 -0.104746D+01  0.213483D+02  0.314908D+01
      3  -0.937218D+01  0.396783D+00 -0.438130D+01 -0.313871D+01  0.176898D+00
      4  -0.305760D+01  0.532811D+01  0.200193D+01  0.517248D+01  0.376063D+01
      5  -0.684157D+00  0.297606D+01 -0.164982D+02  0.514345D+01 -0.598516D-01
      6  -0.468787D+00 -0.288576D+01  0.289610D+01  0.454703D+01 -0.706014D+00
                21            22            23            24            25 
      1   0.313219D+01 -0.250231D+01  0.127322D+01  0.504910D+01 -0.841635D+01
      2  -0.284575D+00  0.170709D+00 -0.662059D+01 -0.344449D+01  0.169445D+01
      3  -0.284761D+01  0.233160D+01  0.534737D+01 -0.160461D+01  0.672190D+01
      4   0.264944D+01 -0.144738D+02  0.858536D+00  0.496348D+00 -0.235802D+00
      5  -0.781764D+00  0.490393D+01  0.106827D+01 -0.682501D-01  0.133152D+01
      6   0.348690D+00  0.230444D+00  0.219185D+01 -0.547018D+01 -0.188175D+01
                26            27            28            29            30 
      1   0.304515D+01  0.107620D+02  0.130623D+02  0.123109D+02 -0.378020D+01
      2  -0.720241D+01  0.132294D+02 -0.136596D+02 -0.108734D+02 -0.159459D+01
      3   0.415726D+01 -0.239914D+02  0.597320D+00 -0.143750D+01  0.537479D+01
      4  -0.274055D+01 -0.817904D+00  0.215330D+01 -0.105331D+02 -0.894705D+01
      5  -0.219185D+01  0.271798D+01 -0.722803D+01 -0.959601D+01 -0.882177D+01
      6   0.173839D+01  0.444348D+01 -0.716296D+01 -0.230462D+01 -0.324195D+01
                31            32            33            34            35 
      1  -0.199921D+01  0.487180D+01  0.146489D+00 -0.941966D+01 -0.758363D+01
      2  -0.371448D+01 -0.135151D+02  0.676647D+01  0.356627D+01 -0.330278D+00
      3   0.571369D+01  0.864329D+01 -0.691296D+01  0.585339D+01  0.791391D+01
      4  -0.187207D+02 -0.212208D+02 -0.492278D+01 -0.172847D+02 -0.215854D+01
      5  -0.181327D+02 -0.749387D+01 -0.105359D+02 -0.370760D+01 -0.297554D+01
      6  -0.248414D+01 -0.923379D+01 -0.626448D+01  0.533373D+00  0.542736D-01
                36            37            38            39            40 
      1  -0.228040D+01 -0.207082D+02 -0.155547D+02  0.708444D+01 -0.228869D+02
      2  -0.506383D+00  0.134612D+02  0.787645D+01 -0.113213D+01  0.125071D+02
      3   0.278678D+01  0.724700D+01  0.767829D+01 -0.595230D+01  0.103798D+02
      4  -0.193269D+01 -0.201182D+02  0.763892D+01  0.661420D+01  0.108961D+02
      5   0.355633D+01  0.897351D+01  0.647549D+01  0.309880D+01  0.123142D+02
      6  -0.747275D+01  0.569985D+01 -0.250764D+00 -0.390098D+01 -0.149490D+01
                41            42            43            44            45 
      1  -0.180596D+01  0.413702D+01  0.831935D+01  0.296131D+01 -0.471843D+01
      2   0.621025D+01 -0.493947D+01 -0.411577D+01 -0.198251D+01 -0.659058D+01
      3  -0.440429D+01  0.802448D+00 -0.420357D+01 -0.978802D+00  0.113090D+02
      4  -0.144705D+02 -0.508708D+01  0.917064D+01 -0.487667D+01 -0.776375D+01
      5  -0.309615D+01 -0.816406D+01  0.730916D+01 -0.697212D+01 -0.146424D+02
      6   0.391403D+01  0.624026D+01 -0.404292D+01  0.515119D+01  0.373160D+01
                46            47            48            49            50 
      1   0.132801D+02  0.853474D+01 -0.122971D+02  0.733395D+01 -0.354327D+01
      2  -0.229639D+01 -0.215552D+00  0.462863D+01 -0.208639D+00  0.103515D+02
      3  -0.109837D+02 -0.831919D+01  0.766846D+01 -0.712531D+01 -0.680818D+01
      4   0.701903D+01 -0.154505D+02  0.901375D+01 -0.170562D+02 -0.755361D+00
      5  -0.623674D+01  0.110141D+02 -0.118974D+02  0.949848D+01 -0.201614D+02
      6   0.171980D+02 -0.111670D+02 -0.144281D+01 -0.127823D+02 -0.344202D+01
                51            52            53            54            55 
      1   0.166091D+01 -0.958812D+01 -0.134043D+00 -0.857555D+01  0.129652D+02
      2   0.460726D+01  0.254947D+01  0.410571D+01 -0.644939D+01 -0.132150D+02
      3  -0.626818D+01  0.703865D+01 -0.397166D+01  0.150249D+02  0.249761D+00
      4  -0.132887D+02  0.683801D+01 -0.888204D+01 -0.164269D+01  0.513675D+01
      5  -0.542654D+00 -0.123959D+02 -0.239366D+01  0.111287D+02 -0.242145D+01
      6  -0.152289D+02 -0.549221D+00 -0.107550D+02 -0.246033D+01  0.480745D+01
                56            57            58            59            60 
      1  -0.965312D+01  0.464292D+00 -0.787019D+01 -0.119554D+02 -0.424145D+01
      2   0.157083D+02 -0.331477D+01  0.157919D+02  0.205555D+02  0.656704D+01
      3  -0.605520D+01  0.285048D+01 -0.792173D+01 -0.860016D+01 -0.232559D+01
      4  -0.703440D+01  0.375708D+01  0.299597D+01  0.156479D+02 -0.442540D+01
      5   0.295093D+01  0.177796D+01 -0.634148D-01 -0.352885D+01  0.200702D+01
      6  -0.618244D+01  0.921570D+01 -0.654171D+01  0.569759D+01  0.195277D+01
                61            62            63            64            65 
      1   0.407620D+01 -0.124038D+01  0.217176D+01  0.152362D+02  0.641766D+01
      2  -0.421181D+01  0.666150D+01 -0.472764D+01 -0.492367D+01  0.148238D+01
      3   0.135608D+00 -0.542112D+01  0.255588D+01 -0.103126D+02 -0.790004D+01
      4   0.490998D+01 -0.273900D+01  0.921582D+01  0.183576D+02  0.201062D+02
      5   0.310786D+01  0.383899D+01 -0.103704D+01  0.138341D+02  0.922764D+01
      6   0.105575D+02 -0.161761D+01 -0.130438D+02  0.589650D+01  0.461998D+01
                66            67            68            69            70 
      1   0.382693D+01  0.889395D+01 -0.135691D+02 -0.493625D+01  0.747933D+01
      2  -0.361755D+01  0.158565D+01  0.309720D+02  0.157242D+01 -0.398906D+01
      3  -0.209385D+00 -0.104796D+02 -0.174029D+02  0.336383D+01 -0.349028D+01
      4   0.817007D+01  0.283661D+02  0.413695D+02  0.107766D+02  0.100044D+02
      5   0.146593D+02  0.121082D+02  0.138691D+02  0.150030D+02  0.154916D+02
      6   0.580525D+01  0.663811D+01  0.148484D+02  0.152516D+02  0.637148D+01
                71            72            73            74            75 
      1  -0.188674D+01 -0.514536D+01  0.171235D+01 -0.178860D+00 -0.677291D+00
      2   0.131584D+01 -0.299532D+01 -0.514223D+01  0.382057D+00  0.560801D+00
      3   0.570903D+00  0.814068D+01  0.342987D+01 -0.203197D+00  0.116490D+00
      4   0.886017D+01  0.122248D+02 -0.768062D+00  0.139299D+01 -0.134744D+01
      5   0.133526D+02  0.170338D+02 -0.151703D+01 -0.625749D+00  0.659588D+01
      6   0.136355D+02  0.116176D+02 -0.147773D+01  0.231777D+00  0.350175D+00
                76            77            78            79            80 
      1   0.115751D+01 -0.424259D+01  0.113274D+00  0.139178D+01  0.288047D+01
      2   0.397268D+00  0.789008D+00 -0.115995D+01  0.782417D+00 -0.125090D+01
      3  -0.155477D+01  0.345358D+01  0.104667D+01 -0.217420D+01 -0.162957D+01
      4   0.287403D+01 -0.368569D+00 -0.990917D-01 -0.135740D-01  0.738929D+00
      5  -0.913786D-01 -0.429173D+00 -0.473785D+00  0.543052D+01  0.617980D+00
      6   0.176012D+00 -0.106727D+01  0.731646D+01  0.174249D+00  0.512579D+01
                81            82            83            84            85 
      1  -0.206507D+02 -0.138767D+00 -0.232606D+01 -0.215595D+01 -0.429954D+01
      2  -0.171594D+02  0.349388D+01  0.282741D+01  0.193088D+01  0.425743D+01
      3   0.378101D+02 -0.335512D+01 -0.501351D+00  0.225069D+00  0.421148D-01
      4  -0.314537D+00  0.268973D+00  0.377680D+01  0.103458D+01  0.219922D+01
      5  -0.233865D+00 -0.163186D+01  0.683678D+00  0.123812D+01  0.834307D+00
      6  -0.723716D+01  0.194518D+01  0.982087D+00  0.604030D+00  0.696821D+00
                86            87            88            89            90 
      1  -0.183475D+02 -0.285018D+01 -0.375769D+01 -0.439138D+01 -0.531649D+01
      2   0.293180D+02  0.633666D+01  0.222967D+01  0.448019D+01  0.311139D+01
      3  -0.109705D+02 -0.348648D+01  0.152802D+01 -0.888087D-01  0.220510D+01
      4  -0.113039D+02 -0.311092D+01  0.139549D+00 -0.313878D+01 -0.212107D+01
      5  -0.322344D+01 -0.412064D+01  0.242668D+01 -0.253711D+01 -0.454118D+00
      6   0.909612D+01  0.660815D+01  0.118833D+01  0.864211D+01  0.489467D+01
                91            92            93            94            95 
      1   0.525674D+02  0.576194D+01 -0.135545D+02  0.197679D+02  0.670952D+01
      2  -0.299874D+02 -0.377455D+01  0.907556D+01 -0.108902D+02 -0.305584D+01
      3  -0.225800D+02 -0.198739D+01  0.447897D+01 -0.887768D+01 -0.365368D+01
      4   0.525910D+01  0.671389D+01 -0.137341D+01  0.109582D+02  0.457605D+01
      5  -0.204009D+02 -0.170961D+01  0.117969D+02 -0.920620D+01 -0.406791D+01
      6  -0.313320D+01 -0.100407D+01  0.128235D+01 -0.390894D+01 -0.202236D+01
                96            97            98            99           100 
      1  -0.592461D+01 -0.597929D+01 -0.447650D+00  0.618051D+01 -0.289888D+01
      2   0.389731D+01  0.545781D+01  0.653351D+00 -0.567725D+01  0.897815D+01
      3   0.202729D+01  0.521487D+00 -0.205701D+00 -0.503264D+00 -0.607927D+01
      4  -0.384970D+01 -0.885824D+00 -0.179835D+01  0.792377D+00 -0.896358D+01
      5   0.540027D+01  0.115696D+02  0.130798D+01 -0.786915D+01  0.323343D+01
      6   0.243949D+01  0.872841D+00  0.139396D+01 -0.102932D+01 -0.628846D+01
               101           102           103           104           105 
      1   0.819286D+01 -0.265174D+01  0.715173D+01 -0.142684D+02  0.430444D+01
      2  -0.157698D+02  0.444305D+01 -0.132627D+02  0.260854D+02 -0.717390D+01
      3   0.757695D+01 -0.179131D+01  0.611096D+01 -0.118170D+02  0.286946D+01
      4   0.145112D+02 -0.532102D+01  0.129712D+02 -0.139027D+02  0.501317D+01
      5  -0.319554D+01  0.351255D+01 -0.196169D+01  0.334555D+01 -0.178559D+01
      6   0.835171D+01 -0.649253D+01  0.673601D+01 -0.106376D+02  0.768595D+01
               106           107           108           109           110 
      1  -0.456015D+01  0.661051D+01 -0.564309D+01 -0.155959D+01  0.125509D+01
      2   0.587192D+01 -0.920215D+01  0.525276D+01  0.198746D+01 -0.119582D+01
      3  -0.131178D+01  0.259164D+01  0.390331D+00 -0.427868D+00 -0.592632D-01
      4  -0.689263D+01  0.680599D+01 -0.559262D+01  0.675247D+00  0.374813D+01
      5   0.359395D+01 -0.301904D+01  0.276972D+01 -0.105949D+01 -0.442398D+00
      6  -0.699688D+01  0.108461D+02 -0.776179D+01  0.291515D+00 -0.213227D+01
               111           112           113           114           115 
      1   0.173759D+01  0.102378D+01 -0.384989D+01 -0.274908D+01  0.131629D+01
      2  -0.109180D+01 -0.849257D+00  0.515236D+01  0.322655D+01 -0.160780D+01
      3  -0.645792D+00 -0.174527D+00 -0.130247D+01 -0.477468D+00  0.291508D+00
      4   0.473294D+00  0.320200D+01 -0.872808D+00 -0.137714D+01  0.369301D+01
      5   0.187965D+01 -0.184757D-01 -0.409001D+00 -0.286069D+00  0.115118D+01
      6  -0.324346D+01 -0.171675D+01  0.316266D+01  0.672213D+01 -0.386108D+01
               116           117           118           119           120 
      1  -0.628971D+01 -0.812401D+01  0.211506D+01  0.188693D+01  0.188316D+01
      2   0.788442D+01  0.164608D+01 -0.328180D+01 -0.266239D+01 -0.380758D+01
      3  -0.159471D+01  0.647793D+01  0.116674D+01  0.775457D+00  0.192442D+01
      4  -0.204131D+01 -0.370392D+01  0.339895D+01  0.682971D+01  0.156048D+01
      5  -0.129315D+01 -0.107070D+01  0.630139D+01  0.391880D+01  0.831026D+01
      6   0.781234D+01  0.211483D+02  0.182372D+01  0.536448D+01  0.227983D+01
               121           122           123           124           125 
      1   0.335826D+01 -0.300938D+01 -0.519163D+01  0.936362D+00 -0.298823D+01
      2  -0.434243D+01 -0.173619D+01 -0.715367D+01 -0.271950D+01 -0.427802D+01
      3   0.984170D+00  0.474558D+01  0.123453D+02  0.178314D+01  0.726625D+01
      4   0.639827D+01  0.124950D+02  0.749555D+01  0.791056D+00  0.497372D+01
      5   0.722454D+01  0.109233D+02  0.112338D+02  0.630715D+01  0.581741D+01
      6   0.566571D+01  0.174844D+02  0.112086D+02  0.228653D+01  0.104036D+02
               126           127           128           129           130 
      1  -0.471526D+01 -0.987592D+01 -0.612222D+01  0.135631D+02 -0.495451D+01
      2  -0.528572D+01  0.965723D+00  0.266321D+01  0.177903D+01  0.262834D+01
      3   0.100010D+02  0.891019D+01  0.345902D+01 -0.153421D+02  0.232617D+01
      4   0.440768D+01  0.585005D+01  0.361671D+01 -0.336764D+01  0.466789D+01
      5   0.757351D+01 -0.130229D+02 -0.383950D+01  0.586613D+01 -0.416484D+01
      6   0.701699D+01 -0.764739D+01 -0.603519D+01  0.769495D+01 -0.363703D+01
               131           132           133           134           135 
      1  -0.502269D+01  0.468831D+01  0.902000D+01  0.400952D+01 -0.107858D+02
      2   0.243288D+01 -0.145528D+01  0.140368D+01 -0.909354D+00 -0.363039D+01
      3   0.258981D+01 -0.323303D+01 -0.104237D+02 -0.310017D+01  0.144161D+02
      4   0.143980D+01  0.499865D+00 -0.243301D+01  0.303036D-01  0.229342D+01
      5   0.211603D+00  0.912856D+00  0.836515D+01  0.163091D+01 -0.485974D+01
      6  -0.489642D+01  0.747088D+01  0.482977D+01  0.625968D+01 -0.607284D+01
               136           137           138           139           140 
      1   0.119148D+02 -0.458235D+01  0.225756D+01 -0.520461D+01 -0.226187D+01
      2  -0.705272D+01  0.298466D-01 -0.543750D+01 -0.220192D-01  0.640266D+01
      3  -0.486211D+01  0.455250D+01  0.317995D+01  0.522663D+01 -0.414080D+01
      4  -0.167668D+02  0.153595D+02 -0.910718D+01  0.161792D+02 -0.172392D+02
      5   0.194381D+02 -0.125147D+02  0.164151D+02 -0.134077D+02  0.138335D+02
      6  -0.118669D+02  0.118886D+02 -0.890570D+01  0.113515D+02 -0.158029D+02
               141           142           143           144           145 
      1   0.310654D+01  0.134205D+01  0.219265D+01 -0.189614D+01  0.102254D+02
      2   0.399724D+00 -0.402152D+01  0.964299D+00 -0.404486D+01 -0.193769D+01
      3  -0.350626D+01  0.267947D+01 -0.315695D+01  0.594100D+01 -0.828775D+01
      4   0.101583D+02 -0.541536D+01  0.618975D+01 -0.717250D+01  0.742326D+01
      5  -0.111360D+02  0.121044D+02 -0.789268D+01  0.108882D+02  0.169283D+01
      6   0.136594D+02 -0.663255D+01  0.101344D+02 -0.897480D+01 -0.545481D+00
               146           147           148           149           150 
      1   0.671978D+01  0.291354D+01  0.157338D+02  0.924840D+01  0.192825D+00
      2  -0.152743D+01 -0.900161D+00 -0.546274D+01  0.509774D+01  0.173431D+01
      3  -0.519235D+01 -0.201338D+01 -0.102710D+02 -0.143461D+02 -0.192713D+01
      4   0.137923D+02  0.120591D+01  0.179448D+02  0.330092D+02  0.359951D+01
      5   0.269604D+00  0.231194D+01 -0.186977D+01  0.353116D+01  0.822543D+01
      6  -0.177800D+01  0.327230D+00 -0.147256D+01 -0.473284D+01  0.195806D+01
               151           152           153           154           155 
      1   0.779060D+01  0.157648D+01 -0.479168D-01  0.512445D+02 -0.184499D+02
      2  -0.296088D+01  0.427587D+00 -0.138061D+01 -0.214095D+02  0.584508D+01
      3  -0.482972D+01 -0.200407D+01  0.142853D+01 -0.298350D+02  0.126048D+02
      4   0.250782D+01  0.662328D+01  0.433299D+01 -0.254134D+02  0.189713D+02
      5   0.376954D+01  0.497961D+01 -0.427274D+00  0.198309D+01 -0.915521D+00
      6   0.113949D+01  0.240517D+01  0.118617D+01  0.182889D+01 -0.211951D+01
               156           157           158           159           160 
      1   0.665933D+01 -0.277039D+02  0.143994D+02 -0.211703D+01  0.164588D+02
      2  -0.214306D+01  0.933528D+01 -0.804867D-01 -0.533944D+00 -0.669651D+01
      3  -0.451627D+01  0.183686D+02 -0.143189D+02  0.265097D+01 -0.976228D+01
      4  -0.307554D+01  0.253362D+02 -0.193579D+02  0.410490D+01 -0.759591D+01
      5   0.820679D+01  0.276889D+00  0.236909D+01 -0.726535D+01  0.856892D+01
      6  -0.111554D+01 -0.190196D+01  0.103437D+01  0.240306D+01 -0.167849D+01
               161           162           163           164           165 
      1  -0.418997D+01  0.469216D+01  0.213033D+01 -0.171784D+01 -0.472936D+01
      2   0.799951D+00 -0.385440D+01 -0.354879D+01  0.766787D+00  0.306861D+01
      3   0.339002D+01 -0.837756D+00  0.141846D+01  0.951052D+00  0.166075D+01
      4   0.706433D+01 -0.534161D+01 -0.155279D+01  0.285055D+01  0.968299D-01
      5  -0.483094D+01  0.219151D+01 -0.395969D+01  0.184772D+00  0.752056D+01
      6   0.173351D+01 -0.999939D+00  0.651997D+00 -0.185954D+00  0.410804D+00
               166           167           168           169           170 
      1  -0.270444D+01  0.609468D+00 -0.104808D+01 -0.819738D+01 -0.705420D+00
      2   0.108355D+01 -0.123688D+01  0.291929D+00  0.922384D+01  0.220290D+00
      3   0.162089D+01  0.627407D+00  0.756151D+00 -0.102646D+01  0.485129D+00
      4   0.537321D+01  0.522921D+00 -0.444050D+01  0.540147D+00 -0.565141D+01
      5   0.729377D+00 -0.404613D+01 -0.154986D+01  0.171921D+02 -0.992669D+00
      6  -0.160489D+01  0.100506D+01  0.693993D+01 -0.169594D+01  0.655291D+01
               171 
      1  -0.118950D+02
      2  -0.214554D+02
      3   0.333504D+02
      4  -0.207916D+01
      5  -0.489288D+02
      6   0.577068D+01
 Leave Link  716 at Thu Aug 12 19:56:04 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.908008D+02  0.107535D+01 -0.275879D+01
      2   0.107535D+01  0.782798D+02  0.186960D+01
      3  -0.275879D+01  0.186960D+01  0.758446D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.906329D+00 -0.130165D+01  0.150719D+01
      2   0.735387D+01 -0.758628D+01  0.340297D+02
      3   0.578152D+01 -0.257540D+02  0.881085D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.692460D+02 -0.206509D+02  0.521943D+01
      2  -0.379534D+02  0.238310D+02 -0.117333D+02
      3  -0.312926D+02 -0.318003D+01  0.651391D+01
      4  -0.218946D+02  0.415842D+02 -0.194270D+02
      5   0.120190D+02 -0.225166D+02  0.654689D+02
      6  -0.546197D+01  0.790168D+00 -0.937072D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.146744D-01  0.310395D+01 -0.354252D+01  0.517474D+01 -0.379574D+01
      2   0.310395D+01 -0.290091D+01  0.104585D+00 -0.379574D+01 -0.325493D+01
      3  -0.354252D+01  0.104585D+00  0.901959D+00 -0.704581D-01 -0.211098D+01
                 6             7             8             9            10 
      1  -0.704581D-01 -0.500652D+01  0.434883D+00 -0.745541D+00  0.195218D+01
      2  -0.211098D+01  0.434883D+00 -0.214320D+01  0.154364D+00 -0.257969D+01
      3   0.637234D+00 -0.745541D+00  0.154364D+00  0.804538D+01  0.446594D+01
                11            12            13            14            15 
      1  -0.257969D+01  0.446594D+01 -0.726942D+01  0.296134D+01  0.285627D+00
      2   0.347075D+01  0.282770D+00  0.296134D+01  0.438569D+01  0.291034D+01
      3   0.282770D+00 -0.609236D+00  0.285627D+00  0.291034D+01  0.407297D+00
                16            17            18            19            20 
      1   0.646697D+01  0.195880D+00  0.463779D-01 -0.200939D+01  0.392843D+01
      2   0.195880D+00  0.290927D+01  0.134971D+01  0.392843D+01 -0.788405D+00
      3   0.463779D-01  0.134971D+01 -0.616751D+01 -0.280247D+01  0.354834D-01
                21            22            23            24            25 
      1  -0.280247D+01  0.759320D+01 -0.343478D+00 -0.237087D+00 -0.274130D+01
      2   0.354834D-01 -0.343478D+00 -0.150945D+01 -0.135406D+01  0.680745D-01
      3  -0.378217D+00 -0.237087D+00 -0.135406D+01  0.146727D+01 -0.667478D+00
                26            27            28            29            30 
      1   0.680745D-01 -0.667478D+00 -0.301944D+01 -0.204084D+01  0.174677D+01
      2  -0.162775D+01  0.774035D-01 -0.204084D+01  0.576443D+00  0.189935D+01
      3   0.774035D-01  0.655628D+01  0.174677D+01  0.189935D+01  0.172639D+00
                31            32            33            34            35 
      1   0.263545D+01  0.138119D+01  0.181512D+01  0.222579D+01  0.270366D+01
      2   0.138119D+01  0.303597D+01  0.178680D+01  0.270366D+01  0.262015D+01
      3   0.181512D+01  0.178680D+01  0.839150D+00  0.341095D+00 -0.700097D-01
                36            37            38            39            40 
      1   0.341095D+00  0.587120D+01  0.330296D+01 -0.129423D+01  0.484398D+01
      2  -0.700097D-01  0.330296D+01  0.240590D+00 -0.917168D+00 -0.975668D+00
      3   0.191505D-02 -0.129423D+01 -0.917168D+00  0.908027D+00 -0.168427D+01
                41            42            43            44            45 
      1  -0.975668D+00 -0.168427D+01 -0.543747D+00 -0.150317D+01 -0.464047D+00
      2   0.307002D+01  0.807468D+00 -0.150317D+01  0.215348D+00  0.139305D+01
      3   0.807468D+00  0.151147D+01 -0.464047D+00  0.139305D+01  0.265467D+01
                46            47            48            49            50 
      1   0.147585D+01  0.361445D+01 -0.487528D+01  0.393514D+01 -0.337873D+01
      2   0.361445D+01 -0.321255D+01  0.134733D+00 -0.337873D+01 -0.190406D+01
      3  -0.487528D+01  0.134733D+00  0.565665D+00  0.107388D+00 -0.392755D+01
                51            52            53            54            55 
      1   0.107388D+00 -0.362562D+01 -0.107895D+00  0.333436D+00  0.261091D+01
      2  -0.392755D+01 -0.107895D+00 -0.289760D+01 -0.725021D+00 -0.200982D+01
      3   0.253592D+00  0.333436D+00 -0.725021D+00  0.404972D+01  0.121314D+01
                56            57            58            59            60 
      1  -0.200982D+01  0.121314D+01 -0.147351D+01  0.334891D+01 -0.669758D+00
      2   0.374452D+01 -0.796048D+00  0.334891D+01  0.242890D+01  0.121425D+01
      3  -0.796048D+00  0.202811D+01 -0.669758D+00  0.121425D+01 -0.119082D+01
                61            62            63            64            65 
      1   0.150294D+01 -0.104093D+01  0.239068D+01 -0.293418D+01 -0.295358D+01
      2  -0.104093D+01  0.144467D+01 -0.729087D+00 -0.295358D+01 -0.248222D+01
      3   0.239068D+01 -0.729087D+00 -0.365835D+01 -0.201302D+01 -0.140938D+01
                66            67            68            69            70 
      1  -0.201302D+01 -0.601932D+01 -0.315561D+01 -0.123068D+01 -0.307255D+01
      2  -0.140938D+01 -0.315561D+01 -0.932455D+01 -0.279148D+01 -0.149474D+01
      3  -0.115193D+01 -0.123068D+01 -0.279148D+01 -0.270724D+01 -0.186039D+01
                71            72            73            74            75 
      1  -0.149474D+01 -0.186039D+01  0.500656D+00 -0.385985D+00 -0.830947D+00
      2  -0.272972D+01 -0.286705D+01 -0.385985D+00  0.249222D+00 -0.117712D+00
      3  -0.286705D+01 -0.380495D+01 -0.830947D+00 -0.117712D+00  0.303011D+00
                76            77            78            79            80 
      1  -0.116006D+01  0.153911D+00  0.381112D-02 -0.145225D+01 -0.999436D-01
      2   0.153911D+00  0.575534D+00 -0.107698D+01 -0.999436D-01 -0.140561D+01
      3   0.381112D-02 -0.107698D+01 -0.600365D-01  0.189860D+00  0.500690D+00
                81            82            83            84            85 
      1   0.189860D+00 -0.127352D+01 -0.759499D+00 -0.992130D+00 -0.106854D+01
      2   0.500690D+00 -0.759499D+00 -0.106517D+01 -0.231848D-01 -0.920397D+00
      3  -0.878650D+01 -0.992130D+00 -0.231848D-01 -0.264621D+00 -0.987594D-01
                86            87            88            89            90 
      1  -0.920397D+00 -0.987594D-01 -0.147254D+01 -0.120519D+00 -0.954058D-01
      2  -0.702935D+01 -0.173715D+01 -0.120519D+00 -0.176991D+01 -0.152888D+01
      3  -0.173715D+01 -0.184765D+01 -0.954058D-01 -0.152888D+01 -0.566106D+00
                91            92            93            94            95 
      1  -0.981500D+01 -0.997248D+00  0.293648D+01 -0.419659D+01 -0.160055D+01
      2  -0.997248D+00 -0.147154D+01  0.130363D+00 -0.160055D+01 -0.675770D+00
      3   0.293648D+01  0.130363D+00 -0.198280D+01  0.145693D+01  0.587098D+00
                96            97            98            99           100 
      1   0.145693D+01  0.199004D+01  0.299211D+00 -0.159379D+01 -0.168939D+01
      2   0.587098D+00  0.299211D+00  0.521748D+00 -0.814496D-01  0.264397D+01
      3  -0.913683D+00 -0.159379D+01 -0.814496D-01  0.144781D+01 -0.110532D+01
               101           102           103           104           105 
      1   0.264397D+01 -0.110532D+01  0.243466D+01 -0.292344D+01  0.102141D+01
      2  -0.331015D+01  0.119888D+01 -0.292344D+01  0.539759D+01 -0.155350D+01
      3   0.119888D+01 -0.106955D+01  0.102141D+01 -0.155350D+01  0.129939D+01
               106           107           108           109           110 
      1  -0.190497D+01  0.162266D+01 -0.127167D+01 -0.416940D-01  0.607502D+00
      2   0.162266D+01 -0.273000D+01  0.172144D+01  0.607502D+00 -0.116254D+00
      3  -0.127167D+01  0.172144D+01 -0.153397D+01  0.193223D+00 -0.353600D+00
               111           112           113           114           115 
      1   0.193223D+00  0.400363D+00 -0.118747D+00 -0.397105D+00  0.101938D+01
      2  -0.353600D+00 -0.118747D+00  0.116958D+01  0.910157D+00 -0.562001D+00
      3  -0.678753D+00 -0.397105D+00  0.910157D+00  0.874611D+00 -0.766349D+00
               116           117           118           119           120 
      1  -0.562001D+00 -0.766349D+00  0.944844D+00  0.636295D+00  0.120747D+01
      2   0.222290D+01  0.143196D+01  0.636295D+00  0.138037D+01  0.528643D+00
      3   0.143196D+01  0.543600D+01  0.120747D+01  0.528643D+00  0.102348D+01
               121           122           123           124           125 
      1   0.127155D+01  0.121984D+01  0.896281D+00  0.941292D+00  0.405836D+00
      2   0.121984D+01  0.468215D+01  0.225413D+01  0.405836D+00  0.178728D+01
      3   0.896281D+00  0.225413D+01  0.312681D+01  0.590844D+00  0.152735D+01
               126           127           128           129           130 
      1   0.590844D+00 -0.537889D+01 -0.140434D+01  0.251744D+01 -0.145980D+01
      2   0.152735D+01 -0.140434D+01 -0.109415D+01  0.991751D+00 -0.643815D+00
      3   0.206357D+01  0.251744D+01  0.991751D+00 -0.339407D+01  0.620641D+00
               131           132           133           134           135 
      1  -0.643815D+00  0.620641D+00  0.193316D+01  0.538121D+00 -0.185222D+01
      2  -0.967541D+00  0.132131D+01  0.538121D+00  0.948209D+00 -0.731011D+00
      3   0.132131D+01 -0.112243D+01 -0.185222D+01 -0.731011D+00  0.244875D+01
               136           137           138           139           140 
      1   0.398873D+01 -0.270355D+01  0.254444D+01 -0.295383D+01  0.269457D+01
      2  -0.270355D+01  0.265346D+01 -0.144315D+01  0.269457D+01 -0.352723D+01
      3   0.254444D+01 -0.144315D+01  0.234423D+01 -0.147805D+01  0.238984D+01
               141           142           143           144           145 
      1  -0.147805D+01  0.140043D+01 -0.939571D+00  0.150099D+01  0.154416D+01
      2   0.238984D+01 -0.939571D+00  0.152539D+01 -0.139639D+01  0.124581D+01
      3  -0.228217D+01  0.150099D+01 -0.139639D+01  0.179546D+01  0.435035D+00
               146           147           148           149           150 
      1   0.124581D+01  0.435035D+00  0.294379D+01  0.229633D+01 -0.154094D+00
      2   0.166331D+01  0.697130D-01  0.229633D+01  0.579125D+01  0.646686D+00
      3   0.697130D-01  0.285343D+00 -0.154094D+00  0.646686D+00  0.130262D+01
               151           152           153           154           155 
      1   0.130778D+01  0.345795D+00  0.547225D+00  0.698434D+01 -0.299354D+01
      2   0.345795D+00  0.119893D+01  0.825034D+00 -0.299354D+01  0.223511D+01
      3   0.547225D+00  0.825034D+00 -0.179489D+00  0.955310D+00 -0.379767D+00
               156           157           158           159           160 
      1   0.955310D+00 -0.506767D+01  0.309886D+01 -0.253354D+00  0.306625D+01
      2  -0.379767D+00  0.309886D+01 -0.247518D+01  0.635227D+00 -0.771613D+00
      3   0.975186D+00 -0.253354D+00  0.635227D+00 -0.113240D+01  0.118344D+01
               161           162           163           164           165 
      1  -0.771613D+00  0.118344D+01  0.303313D+00 -0.255278D+00 -0.759326D+00
      2   0.990160D+00 -0.747625D+00 -0.255278D+00  0.227564D+00  0.637369D-01
      3  -0.747625D+00  0.146047D+00 -0.759326D+00  0.637369D-01  0.215275D-01
               166           167           168           169           170 
      1  -0.564122D+00  0.701211D+00  0.664071D-01 -0.203452D+01  0.262537D-01
      2   0.701211D+00  0.131375D+00 -0.911618D+00  0.262537D-01 -0.108026D+01
      3   0.664071D-01 -0.911618D+00 -0.463016D+00  0.219294D+01 -0.104477D+00
               171 
      1   0.219294D+01
      2  -0.104477D+00
      3  -0.994874D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.282117D+01  0.237632D+01  0.207182D+00  0.353235D+01  0.235991D+01
      2  -0.990100D+01  0.308685D+01  0.570557D+00  0.442971D+01 -0.898493D+01
      3  -0.819808D+01  0.588781D+01  0.665224D+00  0.141257D+02  0.113085D+02
                 6             7             8             9            10 
      1  -0.383569D+00  0.785470D+00  0.313341D+01 -0.435684D+00  0.378639D+01
      2   0.120344D+01 -0.100898D+02  0.732626D+00  0.233141D+02  0.903258D+01
      3   0.508569D+01 -0.143354D+01  0.622567D+01 -0.115234D+01  0.354856D+01
                11            12            13            14            15 
      1  -0.433016D+00 -0.518805D-01 -0.718296D+00  0.340500D+01 -0.418173D+01
      2  -0.683343D+00  0.420347D+01 -0.513222D+01  0.386245D+01  0.183135D+00
      3  -0.407421D+01 -0.155805D+01  0.121005D+01 -0.101439D+02 -0.461067D+01
                16            17            18            19            20 
      1  -0.513613D+00  0.236017D+01 -0.300320D+01 -0.512398D+01  0.237778D+00
      2  -0.171467D+01  0.152080D+01 -0.681943D+01  0.852041D+00  0.812115D+00
      3  -0.739243D+00 -0.375323D+01 -0.233551D+00 -0.150657D+01 -0.434595D+01
                21            22            23            24            25 
      1  -0.903294D+00 -0.177556D+01  0.155216D+01  0.323677D+01  0.648587D-01
      2  -0.780447D+00  0.895667D+01  0.220749D-02  0.713079D+00 -0.738255D+01
      3   0.195527D+01 -0.685136D+00 -0.252900D+00  0.361888D+01 -0.117339D+01
                26            27            28            29            30 
      1   0.553888D+01 -0.211978D+01  0.178815D+01  0.346413D+00  0.192275D+01
      2  -0.581434D+00 -0.238570D+01 -0.116669D+02 -0.197241D+01 -0.202042D+01
      3   0.142273D+01  0.166635D+00 -0.477886D+01  0.257393D+01 -0.168866D+01
                31            32            33            34            35 
      1   0.275088D+01 -0.651339D+01  0.911525D+00 -0.348564D+01  0.140479D+01
      2   0.995487D+01 -0.102147D+01 -0.523639D+01 -0.119321D+02 -0.298488D+01
      3   0.581782D+01  0.107240D+02 -0.196792D+00 -0.681583D+01 -0.308544D+01
                36            37            38            39            40 
      1   0.873990D+01  0.397322D+00  0.263208D+00  0.206198D+01  0.222360D+01
      2   0.408529D+01  0.290081D+01  0.262566D+00  0.119204D+01 -0.791003D+00
      3   0.189663D+01  0.548222D+01 -0.107835D+01 -0.447506D+00  0.470074D+01
                41            42            43            44            45 
      1   0.277978D+01 -0.278711D+01  0.151342D+01  0.350928D+01 -0.196977D+01
      2  -0.389454D+01 -0.310567D+01 -0.178312D+01 -0.307239D+01 -0.701562D+01
      3   0.928671D+01  0.140847D+01  0.297996D+01  0.215015D+01  0.176822D+01
                46            47            48            49            50 
      1   0.366264D+01 -0.632277D+01  0.927936D+00 -0.639377D+01 -0.638417D+01
      2  -0.113622D+02 -0.714348D+01  0.135945D+02 -0.542628D+01  0.616389D+00
      3  -0.658458D+01 -0.132069D+00  0.296892D+01  0.388661D+01  0.534961D+01
                51            52            53            54            55 
      1  -0.116288D+02  0.410491D-01 -0.491350D+01  0.284415D+01 -0.167432D+01
      2  -0.185699D+00  0.611109D+01 -0.656109D+00  0.362361D+01  0.104058D+01
      3   0.498964D+01  0.270414D+01  0.370779D+01  0.561507D+00  0.730537D+01
                56            57            58            59            60 
      1   0.137969D+01 -0.619252D+01  0.146464D+01 -0.504013D+01 -0.385532D+01
      2   0.177282D+01  0.466664D+01 -0.220302D+01 -0.106621D+00  0.567160D+00
      3  -0.117712D+02  0.143434D+01  0.408774D+01  0.860831D+01 -0.387046D+01
                61            62            63            64            65 
      1  -0.432029D+01  0.725348D+01  0.951454D+01  0.164996D+01  0.273042D+01
      2  -0.864558D+00  0.360670D+00 -0.599334D+00  0.990452D+00  0.105822D+01
      3   0.394970D+01 -0.227585D+01  0.604765D+01  0.133992D+01 -0.556618D+01
                66            67            68            69            70 
      1  -0.348261D+01  0.293869D-01  0.521218D+01 -0.748337D+01  0.116481D+01
      2   0.583651D+01 -0.917770D+01  0.268257D+01  0.599633D+01 -0.343265D-01
      3  -0.109753D+01  0.408606D+01 -0.158816D+02 -0.314128D+01  0.867277D+00
                71            72            73            74            75 
      1   0.411153D+01 -0.329064D+01  0.743145D+00 -0.374221D+00 -0.312388D-01
      2   0.590372D+01  0.419843D+01  0.941883D+00 -0.309003D+00  0.341695D+00
      3  -0.172399D+01 -0.449815D+01  0.112955D+01 -0.413513D+00 -0.806295D+00
                76            77            78            79            80 
      1   0.833295D-01 -0.791873D+00 -0.339285D+00  0.103309D+00  0.359831D+01
      2  -0.969758D+00  0.502894D+00  0.302115D-01 -0.384054D+01  0.871866D-01
      3   0.138369D+01  0.264630D-01 -0.638019D+00 -0.327436D+00 -0.496244D+00
                81            82            83            84            85 
      1   0.177346D+01 -0.148670D+01  0.185039D+00 -0.585800D+00 -0.200127D+00
      2   0.980455D+00 -0.221999D+01 -0.364649D+00  0.140955D-01 -0.929635D+00
      3  -0.134016D+00  0.338530D+01  0.112861D+01  0.102025D+01  0.569338D+01
                86            87            88            89            90 
      1   0.765921D-01 -0.375943D+01 -0.214193D+00  0.415006D+00 -0.467322D+00
      2  -0.191070D+01 -0.177319D+01 -0.237342D+01 -0.168267D+01 -0.605328D+00
      3   0.857687D+01  0.239700D+01  0.228298D+01  0.219799D+01  0.195986D+01
                91            92            93            94            95 
      1  -0.134793D+01 -0.166897D+01 -0.113649D-01 -0.425638D+00 -0.113879D+01
      2  -0.209585D+01  0.574830D+00  0.514625D+01 -0.192833D+01 -0.493534D+00
      3  -0.369513D+01 -0.558480D+01  0.861284D+00 -0.257488D+01 -0.346072D+01
                96            97            98            99           100 
      1  -0.505124D+00  0.838733D+00  0.615054D+00 -0.378467D+00  0.148431D+01
      2   0.287069D+01  0.131068D+01  0.280591D+00 -0.236586D+01 -0.124054D+01
      3   0.755405D+00  0.188637D+01  0.180514D+01 -0.740130D+00 -0.572628D+01
               101           102           103           104           105 
      1  -0.194295D+01  0.345658D+01 -0.166278D+01  0.141553D+01 -0.354159D+01
      2   0.580325D+00  0.586841D+00  0.826482D+00 -0.567219D+00 -0.501347D+00
      3   0.468737D+01 -0.273336D+01  0.857307D+01 -0.678981D+01  0.324436D+01
               106           107           108           109           110 
      1   0.214332D+01 -0.155697D+01  0.249308D+01 -0.560406D+00  0.882926D+00
      2  -0.161933D+01  0.235658D+00 -0.592308D-02  0.748214D+00  0.126888D+00
      3  -0.524197D+01  0.412027D+01 -0.347724D+01 -0.456407D+00  0.182075D+00
               111           112           113           114           115 
      1   0.200674D+01  0.116884D+01 -0.235568D+01 -0.238772D+01  0.182534D+01
      2  -0.401811D+00  0.610923D-01 -0.110775D+00  0.454042D+00 -0.292029D+01
      3   0.670219D+00  0.105099D+01 -0.549863D+00 -0.120173D+01  0.313360D+01
               116           117           118           119           120 
      1  -0.164333D+01 -0.150140D+02  0.175545D+01  0.309771D+01  0.107604D+01
      2   0.456050D+00  0.981646D+00  0.290903D+00 -0.361852D+00  0.594448D+00
      3  -0.134080D+01 -0.261790D+01 -0.472716D+00 -0.286440D+01 -0.116246D+01
               121           122           123           124           125 
      1   0.231637D+01  0.129298D+02  0.355346D+01  0.137418D+01  0.590832D+01
      2  -0.239202D+01  0.110324D+01  0.334980D+01 -0.219794D+01  0.105395D+01
      3   0.817349D-01 -0.793914D+01 -0.287628D+01 -0.493030D+00 -0.245014D+01
               126           127           128           129           130 
      1   0.355363D+01 -0.581059D+00 -0.236428D+01 -0.147714D+01 -0.878804D+00
      2   0.161578D+01  0.166300D+02  0.362200D+01 -0.585926D+01  0.372970D+01
      3  -0.222589D+01  0.659332D+01  0.307533D+00 -0.251342D+01  0.301875D+01
               131           132           133           134           135 
      1  -0.515517D+00  0.499122D+00 -0.421447D+00  0.253169D+01  0.505143D+00
      2   0.249214D+01 -0.179529D+01 -0.794423D+01 -0.190055D+01  0.506203D+01
      3   0.939278D+00 -0.175328D+01 -0.224778D+01 -0.457371D+00  0.208271D+01
               136           137           138           139           140 
      1  -0.289640D+01  0.478377D+01  0.364630D+00  0.360740D+01 -0.472461D+01
      2  -0.396140D+01  0.262133D+01  0.143222D+01  0.412815D+01 -0.129488D+01
      3   0.824437D-02 -0.329465D+01  0.447603D+00  0.415128D+00  0.343997D+01
               141           142           143           144           145 
      1   0.344973D+00 -0.880808D+00  0.300020D+01 -0.726158D+00 -0.107347D+01
      2  -0.156792D+01 -0.280760D+01  0.142881D+00  0.289007D+00  0.246497D+01
      3  -0.210707D+01 -0.563423D+00 -0.187202D+01  0.735404D+00 -0.412039D+01
               146           147           148           149           150 
      1  -0.150549D+01 -0.740402D+00 -0.144310D+01 -0.446920D+01 -0.289534D+01
      2   0.117753D+01  0.186434D+01  0.124336D+01  0.433282D+01  0.468014D+01
      3  -0.522114D+01 -0.107418D+00 -0.285041D+01 -0.190978D+02 -0.250004D+01
               151           152           153           154           155 
      1  -0.448019D+00  0.170570D-01 -0.859175D+00  0.227617D+01 -0.152127D+01
      2   0.758962D+00  0.242870D+01  0.306287D+00  0.749570D+01 -0.374906D+01
      3  -0.243574D+00 -0.408194D+01 -0.208485D+01  0.545203D+01 -0.827892D+01
               156           157           158           159           160 
      1   0.151080D+01 -0.191933D+01  0.159398D+01 -0.238557D+01  0.741074D+00
      2   0.610284D+01 -0.404001D+01  0.419020D+01 -0.478844D+01  0.400234D+01
      3   0.112758D+01 -0.589385D+01  0.714765D+01 -0.189540D+01  0.117390D+01
               161           162           163           164           165 
      1  -0.143074D+00  0.951584D+00  0.219078D-01 -0.150309D+00 -0.583973D-01
      2  -0.260409D+01  0.187297D+01 -0.231966D+01 -0.176674D+00  0.837765D+00
      3  -0.338593D+01  0.182980D+01  0.756811D+00 -0.128082D+01  0.287811D-01
               166           167           168           169           170 
      1  -0.379908D+00 -0.326597D+00 -0.334121D+00  0.226112D+00  0.399855D+01
      2  -0.340052D+00 -0.140023D+01 -0.109407D+01 -0.781222D-01 -0.257948D+00
      3  -0.727682D+00 -0.754241D+00  0.191204D+01  0.301294D+00  0.329322D+01
               171 
      1  -0.117603D+01
      2  -0.251529D+02
      3   0.115657D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.100626D+01  0.183517D+02 -0.199652D+02  0.226661D+02 -0.232385D+02
      2  -0.538364D+01 -0.746505D+01  0.870260D+01 -0.107981D+02  0.632856D+01
      3   0.638991D+01 -0.108866D+02  0.112626D+02 -0.118680D+02  0.169099D+02
      4   0.224444D+02 -0.185392D+02  0.250923D+01 -0.283599D+02 -0.158121D+02
      5  -0.202858D+02 -0.801854D+00  0.512717D+01 -0.185477D+01 -0.904471D+01
      6  -0.705631D+00  0.208175D+01 -0.367172D+00  0.191890D+01  0.415214D+01
                 6             7             8             9            10 
      1   0.605955D+00 -0.238353D+02  0.268284D+01  0.999583D+01 -0.109888D+02
      2   0.407187D+00  0.747269D+01 -0.555319D+00  0.110021D+02  0.106973D+01
      3  -0.101314D+01  0.163626D+02 -0.212752D+01 -0.209980D+02  0.991904D+01
      4  -0.104328D+02  0.521984D+01 -0.125879D+02  0.321340D+01 -0.850094D+01
      5   0.129396D+01 -0.130899D+00  0.165260D+01  0.354027D+02  0.144051D+02
      6   0.146906D+01  0.929453D+00  0.164927D+01 -0.578323D+01 -0.586232D+01
                11            12            13            14            15 
      1  -0.608680D+01  0.126109D+02 -0.767827D+01  0.158162D+02  0.380706D+01
      2   0.203654D+01 -0.902625D+01  0.322718D+01 -0.190777D+02 -0.745338D+01
      3   0.405025D+01 -0.358461D+01  0.445109D+01  0.326150D+01  0.364632D+01
      4   0.676829D+01 -0.267599D+01  0.190490D+02  0.646021D+01  0.613100D+01
      5   0.845250D+00 -0.971671D+00  0.288097D+01  0.634908D+01  0.185186D+01
      6   0.345408D+00  0.391131D+00  0.137284D+01 -0.888183D+01  0.348240D+01
                16            17            18            19            20 
      1   0.174624D+02  0.265180D+01  0.542876D+01 -0.182096D+02 -0.332598D+01
      2  -0.809018D+01 -0.304858D+01 -0.104746D+01  0.213483D+02  0.314908D+01
      3  -0.937218D+01  0.396783D+00 -0.438130D+01 -0.313871D+01  0.176898D+00
      4  -0.305760D+01  0.532811D+01  0.200193D+01  0.517248D+01  0.376063D+01
      5  -0.684157D+00  0.297606D+01 -0.164982D+02  0.514345D+01 -0.598516D-01
      6  -0.468787D+00 -0.288576D+01  0.289610D+01  0.454703D+01 -0.706014D+00
                21            22            23            24            25 
      1   0.313219D+01 -0.250231D+01  0.127322D+01  0.504910D+01 -0.841635D+01
      2  -0.284575D+00  0.170709D+00 -0.662059D+01 -0.344449D+01  0.169445D+01
      3  -0.284761D+01  0.233160D+01  0.534737D+01 -0.160461D+01  0.672190D+01
      4   0.264944D+01 -0.144738D+02  0.858536D+00  0.496348D+00 -0.235802D+00
      5  -0.781764D+00  0.490393D+01  0.106827D+01 -0.682501D-01  0.133152D+01
      6   0.348690D+00  0.230444D+00  0.219185D+01 -0.547018D+01 -0.188175D+01
                26            27            28            29            30 
      1   0.304515D+01  0.107620D+02  0.130623D+02  0.123109D+02 -0.378020D+01
      2  -0.720241D+01  0.132294D+02 -0.136596D+02 -0.108734D+02 -0.159459D+01
      3   0.415726D+01 -0.239914D+02  0.597320D+00 -0.143750D+01  0.537479D+01
      4  -0.274055D+01 -0.817904D+00  0.215330D+01 -0.105331D+02 -0.894705D+01
      5  -0.219185D+01  0.271798D+01 -0.722803D+01 -0.959601D+01 -0.882177D+01
      6   0.173839D+01  0.444348D+01 -0.716296D+01 -0.230462D+01 -0.324195D+01
                31            32            33            34            35 
      1  -0.199921D+01  0.487180D+01  0.146489D+00 -0.941966D+01 -0.758363D+01
      2  -0.371448D+01 -0.135151D+02  0.676647D+01  0.356627D+01 -0.330278D+00
      3   0.571369D+01  0.864329D+01 -0.691296D+01  0.585339D+01  0.791391D+01
      4  -0.187207D+02 -0.212208D+02 -0.492278D+01 -0.172847D+02 -0.215854D+01
      5  -0.181327D+02 -0.749387D+01 -0.105359D+02 -0.370760D+01 -0.297554D+01
      6  -0.248414D+01 -0.923379D+01 -0.626448D+01  0.533373D+00  0.542736D-01
                36            37            38            39            40 
      1  -0.228040D+01 -0.207082D+02 -0.155547D+02  0.708444D+01 -0.228869D+02
      2  -0.506383D+00  0.134612D+02  0.787645D+01 -0.113213D+01  0.125071D+02
      3   0.278678D+01  0.724700D+01  0.767829D+01 -0.595230D+01  0.103798D+02
      4  -0.193269D+01 -0.201182D+02  0.763892D+01  0.661420D+01  0.108961D+02
      5   0.355633D+01  0.897351D+01  0.647549D+01  0.309880D+01  0.123142D+02
      6  -0.747275D+01  0.569985D+01 -0.250764D+00 -0.390098D+01 -0.149490D+01
                41            42            43            44            45 
      1  -0.180596D+01  0.413702D+01  0.831935D+01  0.296131D+01 -0.471843D+01
      2   0.621025D+01 -0.493947D+01 -0.411577D+01 -0.198251D+01 -0.659058D+01
      3  -0.440429D+01  0.802448D+00 -0.420357D+01 -0.978802D+00  0.113090D+02
      4  -0.144705D+02 -0.508708D+01  0.917064D+01 -0.487667D+01 -0.776375D+01
      5  -0.309615D+01 -0.816406D+01  0.730916D+01 -0.697212D+01 -0.146424D+02
      6   0.391403D+01  0.624026D+01 -0.404292D+01  0.515119D+01  0.373160D+01
                46            47            48            49            50 
      1   0.132801D+02  0.853474D+01 -0.122971D+02  0.733395D+01 -0.354327D+01
      2  -0.229639D+01 -0.215552D+00  0.462863D+01 -0.208639D+00  0.103515D+02
      3  -0.109837D+02 -0.831919D+01  0.766846D+01 -0.712531D+01 -0.680818D+01
      4   0.701903D+01 -0.154505D+02  0.901375D+01 -0.170562D+02 -0.755361D+00
      5  -0.623674D+01  0.110141D+02 -0.118974D+02  0.949848D+01 -0.201614D+02
      6   0.171980D+02 -0.111670D+02 -0.144281D+01 -0.127823D+02 -0.344202D+01
                51            52            53            54            55 
      1   0.166091D+01 -0.958812D+01 -0.134043D+00 -0.857555D+01  0.129652D+02
      2   0.460726D+01  0.254947D+01  0.410571D+01 -0.644939D+01 -0.132150D+02
      3  -0.626818D+01  0.703865D+01 -0.397166D+01  0.150249D+02  0.249761D+00
      4  -0.132887D+02  0.683801D+01 -0.888204D+01 -0.164269D+01  0.513675D+01
      5  -0.542654D+00 -0.123959D+02 -0.239366D+01  0.111287D+02 -0.242145D+01
      6  -0.152289D+02 -0.549221D+00 -0.107550D+02 -0.246033D+01  0.480745D+01
                56            57            58            59            60 
      1  -0.965312D+01  0.464292D+00 -0.787019D+01 -0.119554D+02 -0.424145D+01
      2   0.157083D+02 -0.331477D+01  0.157919D+02  0.205555D+02  0.656704D+01
      3  -0.605520D+01  0.285048D+01 -0.792173D+01 -0.860016D+01 -0.232559D+01
      4  -0.703440D+01  0.375708D+01  0.299597D+01  0.156479D+02 -0.442540D+01
      5   0.295093D+01  0.177796D+01 -0.634148D-01 -0.352885D+01  0.200702D+01
      6  -0.618244D+01  0.921570D+01 -0.654171D+01  0.569759D+01  0.195277D+01
                61            62            63            64            65 
      1   0.407620D+01 -0.124038D+01  0.217176D+01  0.152362D+02  0.641766D+01
      2  -0.421181D+01  0.666150D+01 -0.472764D+01 -0.492367D+01  0.148238D+01
      3   0.135608D+00 -0.542112D+01  0.255588D+01 -0.103126D+02 -0.790004D+01
      4   0.490998D+01 -0.273900D+01  0.921582D+01  0.183576D+02  0.201062D+02
      5   0.310786D+01  0.383899D+01 -0.103704D+01  0.138341D+02  0.922764D+01
      6   0.105575D+02 -0.161761D+01 -0.130438D+02  0.589650D+01  0.461998D+01
                66            67            68            69            70 
      1   0.382693D+01  0.889395D+01 -0.135691D+02 -0.493625D+01  0.747933D+01
      2  -0.361755D+01  0.158565D+01  0.309720D+02  0.157242D+01 -0.398906D+01
      3  -0.209385D+00 -0.104796D+02 -0.174029D+02  0.336383D+01 -0.349028D+01
      4   0.817007D+01  0.283661D+02  0.413695D+02  0.107766D+02  0.100044D+02
      5   0.146593D+02  0.121082D+02  0.138691D+02  0.150030D+02  0.154916D+02
      6   0.580525D+01  0.663811D+01  0.148484D+02  0.152516D+02  0.637148D+01
                71            72            73            74            75 
      1  -0.188674D+01 -0.514536D+01  0.171235D+01 -0.178860D+00 -0.677291D+00
      2   0.131584D+01 -0.299532D+01 -0.514223D+01  0.382057D+00  0.560801D+00
      3   0.570903D+00  0.814068D+01  0.342987D+01 -0.203197D+00  0.116490D+00
      4   0.886017D+01  0.122248D+02 -0.768062D+00  0.139299D+01 -0.134744D+01
      5   0.133526D+02  0.170338D+02 -0.151703D+01 -0.625749D+00  0.659588D+01
      6   0.136355D+02  0.116176D+02 -0.147773D+01  0.231777D+00  0.350175D+00
                76            77            78            79            80 
      1   0.115751D+01 -0.424259D+01  0.113274D+00  0.139178D+01  0.288047D+01
      2   0.397268D+00  0.789008D+00 -0.115995D+01  0.782417D+00 -0.125090D+01
      3  -0.155477D+01  0.345358D+01  0.104667D+01 -0.217420D+01 -0.162957D+01
      4   0.287403D+01 -0.368569D+00 -0.990917D-01 -0.135740D-01  0.738929D+00
      5  -0.913786D-01 -0.429173D+00 -0.473785D+00  0.543052D+01  0.617980D+00
      6   0.176012D+00 -0.106727D+01  0.731646D+01  0.174249D+00  0.512579D+01
                81            82            83            84            85 
      1  -0.206507D+02 -0.138767D+00 -0.232606D+01 -0.215595D+01 -0.429954D+01
      2  -0.171594D+02  0.349388D+01  0.282741D+01  0.193088D+01  0.425743D+01
      3   0.378101D+02 -0.335512D+01 -0.501351D+00  0.225069D+00  0.421148D-01
      4  -0.314537D+00  0.268973D+00  0.377680D+01  0.103458D+01  0.219922D+01
      5  -0.233865D+00 -0.163186D+01  0.683678D+00  0.123812D+01  0.834307D+00
      6  -0.723716D+01  0.194518D+01  0.982087D+00  0.604030D+00  0.696821D+00
                86            87            88            89            90 
      1  -0.183475D+02 -0.285018D+01 -0.375769D+01 -0.439138D+01 -0.531649D+01
      2   0.293180D+02  0.633666D+01  0.222967D+01  0.448019D+01  0.311139D+01
      3  -0.109705D+02 -0.348648D+01  0.152802D+01 -0.888087D-01  0.220510D+01
      4  -0.113039D+02 -0.311092D+01  0.139549D+00 -0.313878D+01 -0.212107D+01
      5  -0.322344D+01 -0.412064D+01  0.242668D+01 -0.253711D+01 -0.454118D+00
      6   0.909612D+01  0.660815D+01  0.118833D+01  0.864211D+01  0.489467D+01
                91            92            93            94            95 
      1   0.525674D+02  0.576194D+01 -0.135545D+02  0.197679D+02  0.670952D+01
      2  -0.299874D+02 -0.377455D+01  0.907556D+01 -0.108902D+02 -0.305584D+01
      3  -0.225800D+02 -0.198739D+01  0.447897D+01 -0.887768D+01 -0.365368D+01
      4   0.525910D+01  0.671389D+01 -0.137341D+01  0.109582D+02  0.457605D+01
      5  -0.204009D+02 -0.170961D+01  0.117969D+02 -0.920620D+01 -0.406791D+01
      6  -0.313320D+01 -0.100407D+01  0.128235D+01 -0.390894D+01 -0.202236D+01
                96            97            98            99           100 
      1  -0.592461D+01 -0.597929D+01 -0.447650D+00  0.618051D+01 -0.289888D+01
      2   0.389731D+01  0.545781D+01  0.653351D+00 -0.567725D+01  0.897815D+01
      3   0.202729D+01  0.521487D+00 -0.205701D+00 -0.503264D+00 -0.607927D+01
      4  -0.384970D+01 -0.885824D+00 -0.179835D+01  0.792377D+00 -0.896358D+01
      5   0.540027D+01  0.115696D+02  0.130798D+01 -0.786915D+01  0.323343D+01
      6   0.243949D+01  0.872841D+00  0.139396D+01 -0.102932D+01 -0.628846D+01
               101           102           103           104           105 
      1   0.819286D+01 -0.265174D+01  0.715173D+01 -0.142684D+02  0.430444D+01
      2  -0.157698D+02  0.444305D+01 -0.132627D+02  0.260854D+02 -0.717390D+01
      3   0.757695D+01 -0.179131D+01  0.611096D+01 -0.118170D+02  0.286946D+01
      4   0.145112D+02 -0.532102D+01  0.129712D+02 -0.139027D+02  0.501317D+01
      5  -0.319554D+01  0.351255D+01 -0.196169D+01  0.334555D+01 -0.178559D+01
      6   0.835171D+01 -0.649253D+01  0.673601D+01 -0.106376D+02  0.768595D+01
               106           107           108           109           110 
      1  -0.456015D+01  0.661051D+01 -0.564309D+01 -0.155959D+01  0.125509D+01
      2   0.587192D+01 -0.920215D+01  0.525276D+01  0.198746D+01 -0.119582D+01
      3  -0.131178D+01  0.259164D+01  0.390331D+00 -0.427868D+00 -0.592632D-01
      4  -0.689263D+01  0.680599D+01 -0.559262D+01  0.675247D+00  0.374813D+01
      5   0.359395D+01 -0.301904D+01  0.276972D+01 -0.105949D+01 -0.442398D+00
      6  -0.699688D+01  0.108461D+02 -0.776179D+01  0.291515D+00 -0.213227D+01
               111           112           113           114           115 
      1   0.173759D+01  0.102378D+01 -0.384989D+01 -0.274908D+01  0.131629D+01
      2  -0.109180D+01 -0.849257D+00  0.515236D+01  0.322655D+01 -0.160780D+01
      3  -0.645792D+00 -0.174527D+00 -0.130247D+01 -0.477468D+00  0.291508D+00
      4   0.473294D+00  0.320200D+01 -0.872808D+00 -0.137714D+01  0.369301D+01
      5   0.187965D+01 -0.184757D-01 -0.409001D+00 -0.286069D+00  0.115118D+01
      6  -0.324346D+01 -0.171675D+01  0.316266D+01  0.672213D+01 -0.386108D+01
               116           117           118           119           120 
      1  -0.628971D+01 -0.812401D+01  0.211506D+01  0.188693D+01  0.188316D+01
      2   0.788442D+01  0.164608D+01 -0.328180D+01 -0.266239D+01 -0.380758D+01
      3  -0.159471D+01  0.647793D+01  0.116674D+01  0.775457D+00  0.192442D+01
      4  -0.204131D+01 -0.370392D+01  0.339895D+01  0.682971D+01  0.156048D+01
      5  -0.129315D+01 -0.107070D+01  0.630139D+01  0.391880D+01  0.831026D+01
      6   0.781234D+01  0.211483D+02  0.182372D+01  0.536448D+01  0.227983D+01
               121           122           123           124           125 
      1   0.335826D+01 -0.300938D+01 -0.519163D+01  0.936362D+00 -0.298823D+01
      2  -0.434243D+01 -0.173619D+01 -0.715367D+01 -0.271950D+01 -0.427802D+01
      3   0.984170D+00  0.474558D+01  0.123453D+02  0.178314D+01  0.726625D+01
      4   0.639827D+01  0.124950D+02  0.749555D+01  0.791056D+00  0.497372D+01
      5   0.722454D+01  0.109233D+02  0.112338D+02  0.630715D+01  0.581741D+01
      6   0.566571D+01  0.174844D+02  0.112086D+02  0.228653D+01  0.104036D+02
               126           127           128           129           130 
      1  -0.471526D+01 -0.987592D+01 -0.612222D+01  0.135631D+02 -0.495451D+01
      2  -0.528572D+01  0.965723D+00  0.266321D+01  0.177903D+01  0.262834D+01
      3   0.100010D+02  0.891019D+01  0.345902D+01 -0.153421D+02  0.232617D+01
      4   0.440768D+01  0.585005D+01  0.361671D+01 -0.336764D+01  0.466789D+01
      5   0.757351D+01 -0.130229D+02 -0.383950D+01  0.586613D+01 -0.416484D+01
      6   0.701699D+01 -0.764739D+01 -0.603519D+01  0.769495D+01 -0.363703D+01
               131           132           133           134           135 
      1  -0.502269D+01  0.468831D+01  0.902000D+01  0.400952D+01 -0.107858D+02
      2   0.243288D+01 -0.145528D+01  0.140368D+01 -0.909354D+00 -0.363039D+01
      3   0.258981D+01 -0.323303D+01 -0.104237D+02 -0.310017D+01  0.144161D+02
      4   0.143980D+01  0.499865D+00 -0.243301D+01  0.303036D-01  0.229342D+01
      5   0.211603D+00  0.912856D+00  0.836515D+01  0.163091D+01 -0.485974D+01
      6  -0.489642D+01  0.747088D+01  0.482977D+01  0.625968D+01 -0.607284D+01
               136           137           138           139           140 
      1   0.119148D+02 -0.458235D+01  0.225756D+01 -0.520461D+01 -0.226187D+01
      2  -0.705272D+01  0.298466D-01 -0.543750D+01 -0.220192D-01  0.640266D+01
      3  -0.486211D+01  0.455250D+01  0.317995D+01  0.522663D+01 -0.414080D+01
      4  -0.167668D+02  0.153595D+02 -0.910718D+01  0.161792D+02 -0.172392D+02
      5   0.194381D+02 -0.125147D+02  0.164151D+02 -0.134077D+02  0.138335D+02
      6  -0.118669D+02  0.118886D+02 -0.890570D+01  0.113515D+02 -0.158029D+02
               141           142           143           144           145 
      1   0.310654D+01  0.134205D+01  0.219265D+01 -0.189614D+01  0.102254D+02
      2   0.399724D+00 -0.402152D+01  0.964299D+00 -0.404486D+01 -0.193769D+01
      3  -0.350626D+01  0.267947D+01 -0.315695D+01  0.594100D+01 -0.828775D+01
      4   0.101583D+02 -0.541536D+01  0.618975D+01 -0.717250D+01  0.742326D+01
      5  -0.111360D+02  0.121044D+02 -0.789268D+01  0.108882D+02  0.169283D+01
      6   0.136594D+02 -0.663255D+01  0.101344D+02 -0.897480D+01 -0.545481D+00
               146           147           148           149           150 
      1   0.671978D+01  0.291354D+01  0.157338D+02  0.924840D+01  0.192825D+00
      2  -0.152743D+01 -0.900161D+00 -0.546274D+01  0.509774D+01  0.173431D+01
      3  -0.519235D+01 -0.201338D+01 -0.102710D+02 -0.143461D+02 -0.192713D+01
      4   0.137923D+02  0.120591D+01  0.179448D+02  0.330092D+02  0.359951D+01
      5   0.269604D+00  0.231194D+01 -0.186977D+01  0.353116D+01  0.822543D+01
      6  -0.177800D+01  0.327230D+00 -0.147256D+01 -0.473284D+01  0.195806D+01
               151           152           153           154           155 
      1   0.779060D+01  0.157648D+01 -0.479168D-01  0.512445D+02 -0.184499D+02
      2  -0.296088D+01  0.427587D+00 -0.138061D+01 -0.214095D+02  0.584508D+01
      3  -0.482972D+01 -0.200407D+01  0.142853D+01 -0.298350D+02  0.126048D+02
      4   0.250782D+01  0.662328D+01  0.433299D+01 -0.254134D+02  0.189713D+02
      5   0.376954D+01  0.497961D+01 -0.427274D+00  0.198309D+01 -0.915521D+00
      6   0.113949D+01  0.240517D+01  0.118617D+01  0.182889D+01 -0.211951D+01
               156           157           158           159           160 
      1   0.665933D+01 -0.277039D+02  0.143994D+02 -0.211703D+01  0.164588D+02
      2  -0.214306D+01  0.933528D+01 -0.804867D-01 -0.533944D+00 -0.669651D+01
      3  -0.451627D+01  0.183686D+02 -0.143189D+02  0.265097D+01 -0.976228D+01
      4  -0.307554D+01  0.253362D+02 -0.193579D+02  0.410490D+01 -0.759591D+01
      5   0.820679D+01  0.276889D+00  0.236909D+01 -0.726535D+01  0.856892D+01
      6  -0.111554D+01 -0.190196D+01  0.103437D+01  0.240306D+01 -0.167849D+01
               161           162           163           164           165 
      1  -0.418997D+01  0.469216D+01  0.213033D+01 -0.171784D+01 -0.472936D+01
      2   0.799951D+00 -0.385440D+01 -0.354879D+01  0.766787D+00  0.306861D+01
      3   0.339002D+01 -0.837756D+00  0.141846D+01  0.951052D+00  0.166075D+01
      4   0.706433D+01 -0.534161D+01 -0.155279D+01  0.285055D+01  0.968299D-01
      5  -0.483094D+01  0.219151D+01 -0.395969D+01  0.184772D+00  0.752056D+01
      6   0.173351D+01 -0.999939D+00  0.651997D+00 -0.185954D+00  0.410804D+00
               166           167           168           169           170 
      1  -0.270444D+01  0.609468D+00 -0.104808D+01 -0.819738D+01 -0.705420D+00
      2   0.108355D+01 -0.123688D+01  0.291929D+00  0.922384D+01  0.220290D+00
      3   0.162089D+01  0.627407D+00  0.756151D+00 -0.102646D+01  0.485129D+00
      4   0.537321D+01  0.522921D+00 -0.444050D+01  0.540147D+00 -0.565141D+01
      5   0.729377D+00 -0.404613D+01 -0.154986D+01  0.171921D+02 -0.992669D+00
      6  -0.160489D+01  0.100506D+01  0.693993D+01 -0.169594D+01  0.655291D+01
               171 
      1  -0.118950D+02
      2  -0.214554D+02
      3   0.333504D+02
      4  -0.207916D+01
      5  -0.489288D+02
      6   0.577068D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643014D+00      0.163438D+01      0.545170D+01
   x         -0.215179D+00     -0.546931D+00     -0.182437D+01
   y          0.445633D+00      0.113269D+01      0.377824D+01
   z          0.410580D+00      0.104359D+01      0.348104D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.744131D+02      0.110269D+02      0.122691D+02
   aniso      0.127471D+02      0.188892D+01      0.210171D+01
   xx         0.821626D+02      0.121752D+02      0.135468D+02
   yx         0.197499D+00      0.292664D-01      0.325632D-01
   yy         0.714152D+02      0.105826D+02      0.117748D+02
   zx        -0.230729D+01     -0.341906D+00     -0.380421D+00
   zy         0.172901D+01      0.256213D+00      0.285076D+00
   zz         0.696614D+02      0.103228D+02      0.114856D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.816417D+02      0.120981D+02      0.134609D+02
   aniso      0.151653D+02      0.224726D+01      0.250041D+01
   xx         0.908008D+02      0.134553D+02      0.149710D+02
   yx         0.107535D+01      0.159350D+00      0.177301D+00
   yy         0.782798D+02      0.115999D+02      0.129066D+02
   zx        -0.275879D+01     -0.408811D+00     -0.454863D+00
   zy         0.186960D+01      0.277046D+00      0.308255D+00
   zz         0.758446D+02      0.112390D+02      0.125051D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.87718730          1.31020045         -2.52720801
     6          1.77602786         -0.36299512         -1.47478591
     6         -0.28594311          1.26872684         -0.18610081
     6         -2.63279675         -0.36241919          0.21775983
     8         -3.15548669         -0.81117053          2.68345905
     6          2.83061932         -2.37902118          0.30748124
     7          0.68495975          2.58499014          2.01968707
     8         -3.90793615         -1.21219701         -1.46379190
     1         -0.86963823          2.68901175         -1.56671539
     1          0.83829038         -1.31552143         -3.04855986
     1         -4.64046715         -1.88650245          2.71446645
     1         -0.56638850          3.89192806          2.63872687
     1          0.97246728          1.36981011          3.46875961
     1          3.85124092         -1.52189281          1.88337496
     1          1.34547787         -3.58677578          1.07845712
     1          4.16130300         -3.59157246         -0.69699099
     1          4.78292724          2.37875489         -1.01680800
     1          5.30984503          0.16172798         -3.46738994
     1          3.13704265          2.65609256         -3.90534545

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643014D+00      0.163438D+01      0.545170D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.643014D+00      0.163438D+01      0.545170D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.744131D+02      0.110269D+02      0.122691D+02
   aniso      0.127471D+02      0.188892D+01      0.210171D+01
   xx         0.793245D+02      0.117547D+02      0.130789D+02
   yx         0.357787D+01      0.530185D+00      0.589911D+00
   yy         0.695863D+02      0.103116D+02      0.114732D+02
   zx        -0.416425D+01     -0.617078D+00     -0.686591D+00
   zy        -0.553972D+00     -0.820901D-01     -0.913376D-01
   zz         0.743284D+02      0.110143D+02      0.122551D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.816417D+02      0.120981D+02      0.134609D+02
   aniso      0.151653D+02      0.224726D+01      0.250041D+01
   xx         0.876156D+02      0.129833D+02      0.144459D+02
   yx         0.485508D+01      0.719449D+00      0.800495D+00
   yy         0.762857D+02      0.113044D+02      0.125778D+02
   zx        -0.451029D+01     -0.668356D+00     -0.743647D+00
   zy        -0.607561D+00     -0.900313D-01     -0.100173D+00
   zz         0.810240D+02      0.120065D+02      0.133590D+02

 ----------------------------------------------------------------------
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 000037\\\@


 THE RED LIGHT IS ALWAYS LONGER THAN THE GREEN LIGHT.

                     -- PETER'S THEORY OF RELATIVITY
 Job cpu time:       0 days  1 hours 53 minutes 31.2 seconds.
 Elapsed time:       0 days  0 hours 14 minutes 14.4 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 19:56:04 2021.
